data_[Co2Te2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.5731]
_cell_length_b [5.8107]
_cell_length_c [7.5864]
_cell_angle_alpha [97.2121]
_cell_angle_beta [101.1186]
_cell_angle_gamma [90.0272]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CoTeBr]
_chemical_formula_sum '[Co2 Te2 Br2]'
_cell_volume [153.2803]
_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
[
  Co  Co0  1  0.8336  0.7008  0.7627  1
  Co  Co1  1  0.8337  0.1617  0.7623  1
  Te  Te2  1  0.4015  0.9588  0.9284  1
  Te  Te3  1  0.9433  0.4750  0.0300  1
  Br  Br4  1  0.2701  0.4056  0.6089  1
  Br  Br5  1  0.7212  0.8864  0.4903  1
]