data_[Bi4Pd16Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Imma]
_cell_length_a [4.7368]
_cell_length_b [16.2897]
_cell_length_c [5.6681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BiPd4Se]
_chemical_formula_sum '[Bi4 Pd16 Se4]'
_cell_volume [437.3630]
_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
[
  Bi  Bi0  4  0.0000  0.2500  0.5246  1.0
  Pd  Pd1  8  0.0000  0.0797  0.6034  1.0
  Pd  Pd2  8  0.0000  0.1553  0.1031  1.0
  Se  Se3  4  0.0000  0.0000  0.0000  1.0
]