data_[Te4Pd6Se4]
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 [C2/m]
_cell_length_a [13.0852]
_cell_length_b [3.9493]
_cell_length_c [6.7991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te2Pd3Se2]
_chemical_formula_sum '[Te4 Pd6 Se4]'
_cell_volume [334.3372]
_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  4  0.1295  0.5000  0.8748  1.0
  Pd  Pd1  4  0.2356  0.0000  0.7389  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.1540  0.0000  0.3356  1.0
]