data_[Y12Te4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [16.6630]
_cell_length_b [4.2340]
_cell_length_c [9.6763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3TePd]
_chemical_formula_sum '[Y12 Te4 Pd4]'
_cell_volume [579.2943]
_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
[
  Y  Y0  4  0.0563  0.0000  0.8901  1
  Y  Y1  4  0.1000  0.5000  0.4616  1
  Y  Y2  4  0.2488  0.0000  0.8345  1
  Te  Te3  4  0.1631  0.0000  0.2898  1
  Pd  Pd4  4  0.1143  0.5000  0.7774  1
]