data_[Cr8Te24]
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 [Cm]
_cell_length_a [8.1373]
_cell_length_b [16.9131]
_cell_length_c [19.2120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrTe3]
_chemical_formula_sum '[Cr8 Te24]'
_cell_volume [2644.0793]
_cell_formula_units_Z [8]
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  0.2461  0.2282  0.5021  1
  Cr  Cr1  2  0.0354  0.5000  0.5043  1
  Cr  Cr2  2  0.3978  0.5000  0.4600  1
  Te  Te3  4  0.0043  0.2383  0.5978  1
  Te  Te4  4  0.0060  0.2714  0.4087  1
  Te  Te5  4  0.1091  0.1127  0.4107  1
  Te  Te6  4  0.2447  0.3886  0.5388  1
  Te  Te7  4  0.3366  0.1009  0.5763  1
  Te  Te8  2  0.0430  0.0000  0.5872  1
  Te  Te9  2  0.1308  0.5000  0.3785  1
]