data_[Y4Bi4Pd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.7702]
_cell_length_b [3.9968]
_cell_length_c [13.9664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YBiPdSe3]
_chemical_formula_sum '[Y4 Bi4 Pd4 Se12]'
_cell_volume [601.2016]
_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  0.0167  0.7500  0.7550  1
  Bi  Bi1  4  0.2301  0.2500  0.4444  1
  Pd  Pd2  4  0.2355  0.7500  0.3017  1
  Se  Se3  4  0.0222  0.7500  0.3909  1
  Se  Se4  4  0.0618  0.2500  0.9029  1
  Se  Se5  4  0.2350  0.2500  0.1751  1
]