# generated using pymatgen
data_Li2MgBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28957900
_cell_length_b   6.28957900
_cell_length_c   8.51636700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgBr4
_chemical_formula_sum   'Li8 Mg4 Br16'
_cell_volume   336.89729292
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.00000000  0.25209000  0.00000000  1
  Li  Li1  1  0.74791000  0.00000000  0.75000000  1
  Li  Li2  1  0.00000000  0.74791000  0.50000000  1
  Li  Li3  1  0.00000000  0.25044500  0.50000000  1
  Li  Li4  1  0.25209000  0.00000000  0.25000000  1
  Li  Li5  1  0.25044500  0.00000000  0.75000000  1
  Li  Li6  1  0.74955500  0.00000000  0.25000000  1
  Li  Li7  1  0.00000000  0.74955500  0.00000000  1
  Mg  Mg8  1  0.50000000  0.24975300  0.50000000  1
  Mg  Mg9  1  0.75024700  0.50000000  0.25000000  1
  Mg  Mg10  1  0.24975300  0.50000000  0.75000000  1
  Mg  Mg11  1  0.50000000  0.75024700  0.00000000  1
  Br  Br12  1  0.49071800  0.24684700  0.22834800  1
  Br  Br13  1  0.75315300  0.50928200  0.52165200  1
  Br  Br14  1  0.01124500  0.24644800  0.25247900  1
  Br  Br15  1  0.98875500  0.75355200  0.75247900  1
  Br  Br16  1  0.24644800  0.01124500  0.99752100  1
  Br  Br17  1  0.24684700  0.50928200  0.47834800  1
  Br  Br18  1  0.24684700  0.49071800  0.02165200  1
  Br  Br19  1  0.50928200  0.75315300  0.72834800  1
  Br  Br20  1  0.49071800  0.75315300  0.27165200  1
  Br  Br21  1  0.75355200  0.01124500  0.00247900  1
  Br  Br22  1  0.75355200  0.98875500  0.49752100  1
  Br  Br23  1  0.75315300  0.49071800  0.97834800  1
  Br  Br24  1  0.01124500  0.75355200  0.24752100  1
  Br  Br25  1  0.98875500  0.24644800  0.74752100  1
  Br  Br26  1  0.24644800  0.98875500  0.50247900  1
  Br  Br27  1  0.50928200  0.24684700  0.77165200  1
