data_[Ni6Sb4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.3365]
_cell_length_b [3.9675]
_cell_length_c [6.7732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ni3(SbTe)2]
_chemical_formula_sum '[Ni6 Sb4 Te4]'
_cell_volume [279.9169]
_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
[
  Ni  Ni0  2  0.0029  0.0000  0.0014  1.0
  Ni  Ni1  2  0.2458  0.5000  0.7380  1.0
  Ni  Ni2  2  0.2547  0.0000  0.2626  1.0
  Sb  Sb3  2  0.1247  0.0000  0.4636  1.0
  Sb  Sb4  2  0.1306  0.5000  0.9653  1.0
  Te  Te5  2  0.3716  0.0000  0.0361  1.0
  Te  Te6  2  0.3724  0.5000  0.5329  1.0
]