data_[Bi3As1H2Pd9]
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
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8798]
_cell_length_b [5.8798]
_cell_length_c [8.2651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Bi3AsH2Pd9]
_chemical_formula_sum '[Bi3 As1 H2 Pd9]'
_cell_volume [247.4575]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.3818  1.0
  Bi  Bi1  1  0.0000  0.0000  0.0000  1.0
  As  As2  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd3  6  0.1715  0.3430  0.7115  1.0
  Pd  Pd4  3  0.0000  0.5000  0.0000  1.0
  H  H5  2  0.3333  0.6667  0.8992  1.0
]