data_Co2AsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   151.96
_cell_angle_beta   150.11
_cell_angle_gamma   41.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AsBr
_chemical_formula_sum   'Co2 As1 Br1'
_cell_volume   66.36
_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
  Co  Co2  1  0.0  0.0  0.02  1.0
  Co  Co3  1  0.59  0.0  0.08  1.0
  As  As0  1  0.0  0.0  0.66  1.0
  Br  Br1  1  0.0  0.69  0.53  1.0

data_Co2AsBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.39
_cell_length_c   6.57
_cell_angle_alpha   104.94
_cell_angle_beta   104.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AsBr
_chemical_formula_sum   'Co2 As1 Br1'
_cell_volume   66.36
_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
  Co  Co0  1  0.0  0.02  0.02  1.0
  Co  Co1  1  0.0  0.08  0.49  1.0
  As  As2  1  0.0  0.66  0.66  1.0
  Br  Br3  1  0.31  0.84  0.84  1.0

Co Co As Br