data_[Bi10As2Pd8]
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 [C2/m]
_cell_length_a [16.0565]
_cell_length_b [4.4367]
_cell_length_c [6.9697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi5AsPd4]
_chemical_formula_sum '[Bi10 As2 Pd8]'
_cell_volume [489.8089]
_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  0.1638  0.0000  0.5980  1.0
  Bi  Bi1  4  0.1756  0.0000  0.1091  1.0
  Bi  Bi2  2  0.0000  0.5000  0.5000  1.0
  As  As3  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd4  4  0.0140  0.0000  0.8023  1.0
  Pd  Pd5  4  0.1386  0.5000  0.8471  1.0
]