data_[Bi2Sb2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0023]
_cell_length_b [4.4570]
_cell_length_c [7.2071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BiSbPd]
_chemical_formula_sum '[Bi2 Sb2 Pd2]'
_cell_volume [154.5461]
_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  2  0.2385  0.7500  0.4415  1.0
  Sb  Sb1  2  0.2436  0.7500  0.9679  1.0
  Pd  Pd2  2  0.3234  0.2500  0.2044  1.0
]