data_[Ni4Sb4Te12]
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 [C2/m]
_cell_length_a [12.0239]
_cell_length_b [3.9632]
_cell_length_c [11.7957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiSbTe3]
_chemical_formula_sum '[Ni4 Sb4 Te12]'
_cell_volume [548.6030]
_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
[
  Ni  Ni0  4  0.2175  0.5000  0.6347  1.0
  Sb  Sb1  4  0.0132  0.5000  0.1333  1.0
  Te  Te2  4  0.0851  0.0000  0.6655  1.0
  Te  Te3  4  0.1567  0.5000  0.4092  1.0
  Te  Te4  4  0.1917  0.0000  0.1447  1.0
]