# generated using pymatgen
data_Li6MgBr8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72049537
_cell_length_b   7.72049537
_cell_length_c   7.72049537
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6MgBr8
_chemical_formula_sum   'Li6 Mg1 Br8'
_cell_volume   325.40221339
_cell_formula_units_Z   1
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  0.50000000  0.00000000  1
  Li  Li1  1  0.50000000  0.00000000  0.00000000  1
  Li  Li2  1  -0.00000000  0.50000000  0.50000000  1
  Li  Li3  1  0.50000000  0.00000000  0.50000000  1
  Li  Li4  1  -0.00000000  0.00000000  0.50000000  1
  Li  Li5  1  0.50000000  0.50000000  0.00000000  1
  Mg  Mg6  1  -0.00000000  0.00000000  0.00000000  1
  Br  Br7  1  0.25000000  0.25000000  0.25000000  1
  Br  Br8  1  0.75000000  0.75000000  0.75000000  1
  Br  Br9  1  0.24447290  0.75552710  0.24447290  1
  Br  Br10  1  0.24447290  0.75552710  0.75552710  1
  Br  Br11  1  0.75552710  0.24447290  0.24447290  1
  Br  Br12  1  0.75552710  0.75552710  0.24447290  1
  Br  Br13  1  0.24447290  0.24447290  0.75552710  1
  Br  Br14  1  0.75552710  0.24447290  0.75552710  1
