data_[Bi4As4Pd16]
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/c]
_cell_length_a [16.6315]
_cell_length_b [5.6237]
_cell_length_c [4.7512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BiAsPd4]
_chemical_formula_sum '[Bi4 As4 Pd16]'
_cell_volume [431.7679]
_cell_formula_units_Z [4]
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  0.0000  0.2271  0.7500  1.0
  As  As1  4  0.2500  0.2500  0.5000  1.0
  Pd  Pd2  8  0.0990  0.3521  0.3350  1.0
  Pd  Pd3  8  0.1725  0.1430  0.8966  1.0
]