data_InCo2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   150.09
_cell_angle_beta   140.78
_cell_angle_gamma   50.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCo2Br
_chemical_formula_sum   'In1 Co2 Br1'
_cell_volume   79.83
_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
  In  In3  1  0.63  0.0  0.5  1.0
  Co  Co1  1  0.0  0.13  0.46  1.0
  Co  Co2  1  0.0  0.0  0.62  1.0
  Br  Br0  1  0.0  0.0  0.38  1.0

data_InCo2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.25
_cell_length_c   6.34
_cell_angle_alpha   109.61
_cell_angle_beta   104.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCo2Br
_chemical_formula_sum   'In1 Co2 Br1'
_cell_volume   79.83
_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
  In  In0  1  0.0  0.5  0.87  1.0
  Co  Co1  1  0.0  0.62  0.62  1.0
  Co  Co2  1  0.87  0.33  0.33  1.0
  Br  Br3  1  0.0  0.38  0.38  1.0

In Co Co Br