data_[Cr14Te16]
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 [C2/m]
_cell_length_a [12.5172]
_cell_length_b [8.1645]
_cell_length_c [9.4084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.2585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr7Te8]
_chemical_formula_sum '[Cr14 Te16]'
_cell_volume [722.8027]
_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
[
  Cr  Cr0  4  0.0000  0.2670  0.5000  1.0
  Cr  Cr1  4  0.2364  0.5000  0.9901  1.0
  Cr  Cr2  4  0.2500  0.2500  0.5000  1.0
  Cr  Cr3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2141  0.2464  0.1689  1.0
  Te  Te5  4  0.0354  0.0000  0.3320  1.0
  Te  Te6  4  0.0479  0.5000  0.3340  1.0
]