data_[Co4Te4Br3]
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 [Pm]
_cell_length_a [6.2462]
_cell_length_b [7.0492]
_cell_length_c [18.8834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Co4Te4Br3]
_chemical_formula_sum '[Co4 Te4 Br3]'
_cell_volume [831.4415]
_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  2  0.4063  0.3149  0.4913  1
  Co  Co1  1  0.0320  0.5000  0.5186  1
  Co  Co2  1  0.1703  0.0000  0.5064  1
  Te  Te3  2  0.1782  0.2521  0.5979  1
  Te  Te4  1  0.5863  0.0000  0.4857  1
  Te  Te5  1  0.6625  0.5000  0.5673  1
  Br  Br6  2  0.0548  0.2530  0.4256  1
  Br  Br7  1  0.5344  0.5000  0.3923  1
]