data_[Cr8Ni4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.0437]
_cell_length_b [14.9585]
_cell_length_c [4.5725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cr2NiTe2]
_chemical_formula_sum '[Cr8 Ni4 Te8]'
_cell_volume [413.3769]
_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  8  0.1203  0.0484  0.5000  1.0
  Ni  Ni1  4  0.0000  0.5000  0.2500  1.0
  Te  Te2  8  0.2329  0.6319  0.0000  1.0
]