data_[Bi4As4Pd10]
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 [12.5092]
_cell_length_b [4.6695]
_cell_length_c [7.8534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi2As2Pd5]
_chemical_formula_sum '[Bi4 As4 Pd10]'
_cell_volume [381.0218]
_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  0.1292  0.5000  0.9192  1.0
  As  As1  4  0.1216  0.0000  0.3936  1.0
  Pd  Pd2  4  0.1113  0.0000  0.7030  1.0
  Pd  Pd3  4  0.1461  0.5000  0.2851  1.0
  Pd  Pd4  2  0.0000  0.0000  0.0000  1.0
]