data_[Ca8As4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [9.7967]
_cell_length_b [5.7079]
_cell_length_c [7.8503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2AsPd2]
_chemical_formula_sum '[Ca8 As4 Pd8]'
_cell_volume [424.9194]
_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
[
  Ca  Ca0  8  0.1512  0.3696  0.1524  1.0
  As  As1  4  0.0000  0.1838  0.7500  1.0
  Pd  Pd2  8  0.1266  0.1172  0.4872  1.0
]