data_[Bi2H2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.6353]
_cell_length_b [8.1053]
_cell_length_c [4.3470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BiHPd2]
_chemical_formula_sum '[Bi2 H2 Pd4]'
_cell_volume [128.0846]
_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  0.0000  0.1453  0.9237  1.0
  Pd  Pd1  2  0.0000  0.4688  0.2355  1.0
  H  H2  2  0.0000  0.5469  0.8318  1.0
  Pd  Pd3  2  0.0000  0.7864  0.9424  1.0
]