# generated using pymatgen
data_CsCrBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75990760
_cell_length_b   7.75990760
_cell_length_c   6.49263900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999661
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsCrBr3
_chemical_formula_sum   'Cs2 Cr2 Br6'
_cell_volume   338.58288634
_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  0.25587400  1.0
  Cs  Cs1  1  0.33333300  0.66666700  0.75587400  1.0
  Cr  Cr2  1  0.00000000  0.00000000  0.51392600  1.0
  Cr  Cr3  1  0.00000000  0.00000000  0.01392600  1.0
  Br  Br4  1  0.68491100  0.84245500  0.26336700  1.0
  Br  Br5  1  0.84245500  0.15754500  0.76336700  1.0
  Br  Br6  1  0.15754500  0.84245500  0.26336700  1.0
  Br  Br7  1  0.31508900  0.15754500  0.76336700  1.0
  Br  Br8  1  0.84245500  0.68491100  0.76336700  1.0
  Br  Br9  1  0.15754500  0.31508900  0.26336700  1.0