data_[Bi8As4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.9199]
_cell_length_b [7.3293]
_cell_length_c [5.8089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Bi2AsPd3]
_chemical_formula_sum '[Bi8 As4 Pd12]'
_cell_volume [507.4866]
_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  8  0.1824  0.3366  0.7727  1.0
  As  As1  4  0.0000  0.2043  0.2930  1.0
  Pd  Pd2  8  0.1254  0.0069  0.0317  1.0
  Pd  Pd3  4  0.0000  0.4911  0.0305  1.0
]