data_[Be2As4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4086]
_cell_length_b [6.7329]
_cell_length_c [8.8871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Be(AsPd3)2]
_chemical_formula_sum '[Be2 As4 Pd12]'
_cell_volume [275.0847]
_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
[
  Be  Be0  2  0.5000  0.0000  0.5000  1.0
  As  As1  4  0.3066  0.6200  0.2464  1.0
  Pd  Pd2  4  0.0969  0.5383  0.7382  1.0
  Pd  Pd3  4  0.1960  0.1889  0.5597  1.0
  Pd  Pd4  4  0.4074  0.6724  0.5558  1.0
]