data_[Ni2Te8Pd10]
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 [C2/m]
_cell_length_a [15.7176]
_cell_length_b [3.7281]
_cell_length_c [7.1502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiTe4Pd5]
_chemical_formula_sum '[Ni2 Te8 Pd10]'
_cell_volume [388.9295]
_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  0.0000  0.5000  0.0000  1
  Te  Te1  4  0.0708  0.0000  0.8389  1
  Te  Te2  4  0.1560  0.5000  0.2945  1
  Pd  Pd3  4  0.1486  0.0000  0.5649  1
  Pd  Pd4  4  0.2412  0.0000  0.1338  1
  Pd  Pd5  2  0.0000  0.5000  0.5000  1
]