data_[Zr4Cr2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [21.3750]
_cell_length_b [3.7251]
_cell_length_c [19.4246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2CrTe6]
_chemical_formula_sum '[Zr4 Cr2 Te12]'
_cell_volume [1546.6472]
_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
[
  Zr  Zr0  4  0.1400  0.0000  0.5225  1
  Cr  Cr1  2  0.0000  0.5000  0.5000  1
  Te  Te2  4  0.0726  0.5000  0.6139  1
  Te  Te3  4  0.1005  0.5000  0.4146  1
  Te  Te4  4  0.2385  0.5000  0.5676  1
]