data_[Te16Pd10Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [35.1782]
_cell_length_b [4.0371]
_cell_length_c [5.1488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Te8Pd5Se2]
_chemical_formula_sum '[Te16 Pd10 Se4]'
_cell_volume [731.2069]
_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
[
  Te  Te0  2  0.0389  0.5000  0.2794  1.0
  Te  Te1  2  0.1379  0.0000  0.2456  1.0
  Te  Te2  2  0.1684  0.5000  0.7159  1.0
  Te  Te3  2  0.2398  0.5000  0.2529  1.0
  Te  Te4  2  0.2712  0.0000  0.7235  1.0
  Te  Te5  2  0.3422  0.0000  0.2626  1.0
  Te  Te6  2  0.3745  0.5000  0.7371  1.0
  Te  Te7  2  0.4420  0.5000  0.2877  1.0
  Pd  Pd8  2  0.0061  0.0000  0.0071  1.0
  Pd  Pd9  2  0.1021  0.5000  0.9869  1.0
  Pd  Pd10  2  0.2043  0.0000  0.9841  1.0
  Pd  Pd11  2  0.3069  0.5000  0.9931  1.0
  Pd  Pd12  2  0.4093  0.0000  0.0098  1.0
  Se  Se13  2  0.0687  0.0000  0.7489  1.0
  Se  Se14  2  0.4735  0.0000  0.7654  1.0
]