data_[Cr3Te2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8610]
_cell_length_b [6.8932]
_cell_length_c [18.7065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.5834]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr3(TeBr)2]
_chemical_formula_sum '[Cr3 Te2 Br2]'
_cell_volume [497.8439]
_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
[
  Cr  Cr0  1  0.5074  0.9514  0.4489  1
  Cr  Cr1  1  0.5136  0.9494  0.5518  1
  Cr  Cr2  1  0.5729  0.5566  0.4999  1
  Te  Te3  1  0.0011  0.7324  0.4000  1
  Te  Te4  1  0.0115  0.7260  0.5981  1
  Br  Br5  1  0.5140  0.2800  0.4039  1
  Br  Br6  1  0.5146  0.2764  0.5974  1
]