data_Co2TeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   6.33
_cell_angle_alpha   106.28
_cell_angle_beta   106.28
_cell_angle_gamma   58.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TeBr
_chemical_formula_sum   'Co2 Te1 Br1'
_cell_volume   72.57
_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  Co1  1  0.11  0.0  0.23  1.0
  Co  Co2  1  0.43  0.0  0.76  1.0
  Te  Te3  1  0.27  0.0  1.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Co2TeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.77
_cell_length_c   6.33
_cell_angle_alpha   106.28
_cell_angle_beta   90.0
_cell_angle_gamma   119.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TeBr
_chemical_formula_sum   'Co2 Te1 Br1'
_cell_volume   72.57
_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  0.57  0.24  1.0
  Co  Co1  1  0.0  0.89  0.77  1.0
  Te  Te2  1  0.0  0.73  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Co Co Te Br