# generated using pymatgen
data_CrCoBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08197949
_cell_length_b   7.08197949
_cell_length_c   5.94313800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999523
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoBr3
_chemical_formula_sum   'Cr2 Co2 Br6'
_cell_volume   258.14029177
_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
  Cr  Cr0  1  0.33333300  0.66666700  0.75000000  1.0
  Cr  Cr1  1  0.66666700  0.33333300  0.25000000  1.0
  Co  Co2  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co3  1  0.00000000  0.00000000  0.50000000  1.0
  Br  Br4  1  0.16877500  0.33755000  0.25000000  1.0
  Br  Br5  1  0.83122500  0.66245000  0.75000000  1.0
  Br  Br6  1  0.66245000  0.83122500  0.25000000  1.0
  Br  Br7  1  0.33755000  0.16877500  0.75000000  1.0
  Br  Br8  1  0.16877500  0.83122500  0.25000000  1.0
  Br  Br9  1  0.83122500  0.16877500  0.75000000  1.0