# generated using pymatgen
data_CsMgBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64834679
_cell_length_b   7.64834680
_cell_length_c   6.50988533
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000449
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsMgBr3
_chemical_formula_sum   'Cs2 Mg2 Br6'
_cell_volume   329.79122360
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.66666700  0.33333300  0.25000000  1.0
  Cs  Cs1  1  0.33333300  0.66666700  0.75000000  1.0
  Mg  Mg2  1  0.00000000  -0.00000000  0.50000000  1.0
  Mg  Mg3  1  0.00000000  -0.00000000  -0.00000000  1.0
  Br  Br4  1  0.67967955  0.83983977  0.25000000  1.0
  Br  Br5  1  0.83983977  0.16016023  0.75000000  1.0
  Br  Br6  1  0.16016023  0.83983977  0.25000000  1.0
  Br  Br7  1  0.32032045  0.16016023  0.75000000  1.0
  Br  Br8  1  0.83983977  0.67967955  0.75000000  1.0
  Br  Br9  1  0.16016023  0.32032045  0.25000000  1.0