data_[Cr2Ni4Te6]
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 [P2_1/m]
_cell_length_a [7.5774]
_cell_length_b [3.7078]
_cell_length_c [10.2084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrNi2Te3]
_chemical_formula_sum '[Cr2 Ni4 Te6]'
_cell_volume [271.6918]
_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  2  0.2147  0.2500  0.7045  1.0
  Ni  Ni1  2  0.0419  0.2500  0.4320  1.0
  Ni  Ni2  2  0.4120  0.7500  0.9138  1.0
  Te  Te3  2  0.0612  0.7500  0.8249  1.0
  Te  Te4  2  0.2768  0.7500  0.5162  1.0
  Te  Te5  2  0.4259  0.7500  0.1693  1.0
]