data_[Bi4As2Pd12]
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 [Immm]
_cell_length_a [3.9302]
_cell_length_b [7.4987]
_cell_length_c [12.1689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Bi2AsPd6]
_chemical_formula_sum '[Bi4 As2 Pd12]'
_cell_volume [358.6360]
_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
[
  Bi  Bi0  4  0.0000  0.0000  0.3505  1.0
  As  As1  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  8  0.0000  0.2164  0.1648  1.0
  Pd  Pd3  4  0.0000  0.2960  0.5000  1.0
]