# generated using pymatgen
data_Li2MgBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86481958
_cell_length_b   6.71016100
_cell_length_c   6.71016221
_cell_angle_alpha   109.44056061
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgBr4
_chemical_formula_sum   'Li2 Mg1 Br4'
_cell_volume   164.09714264
_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  0.50000000  0.50000000  0.00000000  1.0
  Li  Li1  1  0.50000000  -0.00000000  0.50000000  1.0
  Mg  Mg2  1  -0.00000000  -0.00000000  0.00000000  1.0
  Br  Br3  1  0.50000000  0.23976181  0.23976181  1.0
  Br  Br4  1  0.50000000  0.76023919  0.76023919  1.0
  Br  Br5  1  -0.00000000  0.24349349  0.75650651  1.0
  Br  Br6  1  -0.00000000  0.75650651  0.24349349  1.0
