data_[Ag2B1As1Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5410]
_cell_length_b [5.7566]
_cell_length_c [5.8716]
_cell_angle_alpha [73.6787]
_cell_angle_beta [73.5067]
_cell_angle_gamma [65.7185]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ag2BAsPd6]
_chemical_formula_sum '[Ag2 B1 As1 Pd6]'
_cell_volume [160.7777]
_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
[
  Ag  Ag0  2  0.2857  0.1824  0.1854  1.0
  B  B1  1  0.5000  0.5000  0.5000  1.0
  As  As2  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  2  0.1898  0.3462  0.6734  1.0
  Pd  Pd4  2  0.2466  0.8421  0.6242  1.0
  Pd  Pd5  2  0.3526  0.6402  0.1829  1.0
]