data_[Cr4Te8]
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
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [21.8861]
_cell_length_b [8.0705]
_cell_length_c [4.7825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CrTe2]
_chemical_formula_sum '[Cr4 Te8]'
_cell_volume [844.7396]
_cell_formula_units_Z [4]
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  4  0.1008  0.1220  0.4575  1
  Te  Te1  4  0.1573  0.1794  0.9565  1
  Te  Te2  2  0.0000  0.1233  0.1002  1
  Te  Te3  2  0.0000  0.3663  0.5791  1
]