data_[Ga4As4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [8.2395]
_cell_length_b [4.8836]
_cell_length_c [9.8422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [GaAsPd3]
_chemical_formula_sum '[Ga4 As4 Pd12]'
_cell_volume [332.2803]
_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
[
  Ga  Ga0  4  0.2354  0.7297  0.1107  1.0
  As  As1  4  0.2630  0.2485  0.4229  1.0
  Pd  Pd2  4  0.0192  0.0410  0.1552  1.0
  Pd  Pd3  4  0.3731  0.7464  0.4190  1.0
  Pd  Pd4  4  0.3808  0.2461  0.7214  1.0
]