data_[Cr8Cu6Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [8.0071]
_cell_length_b [8.0275]
_cell_length_c [11.3239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cr4Cu3Te8]
_chemical_formula_sum '[Cr8 Cu6 Te16]'
_cell_volume [727.8693]
_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  0.2571  0.4962  1.0
  Cr  Cr1  4  0.2434  0.0000  0.2450  1.0
  Cu  Cu2  2  0.0000  0.0000  0.8756  1.0
  Cu  Cu3  2  0.0000  0.5000  0.1249  1.0
  Cu  Cu4  2  0.0000  0.5000  0.8893  1.0
  Te  Te5  4  0.0000  0.2355  0.2568  1.0
  Te  Te6  4  0.0000  0.2566  0.7380  1.0
  Te  Te7  4  0.2238  0.0000  0.4986  1.0
  Te  Te8  4  0.2355  0.5000  0.5066  1.0
]