data_[Ni4Te4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4996]
_cell_length_b [3.7762]
_cell_length_c [6.7190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NiTePd]
_chemical_formula_sum '[Ni4 Te4 Pd4]'
_cell_volume [215.5613]
_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  2  0.2356  0.5000  0.6919  1
  Ni  Ni1  2  0.4353  0.0000  0.7975  1
  Te  Te2  2  0.0264  0.0000  0.5699  1
  Te  Te3  2  0.3461  0.5000  0.0866  1
  Pd  Pd4  2  0.1430  0.0000  0.9641  1
  Pd  Pd5  2  0.3020  0.0000  0.3915  1
]