data_[Ca2As4Pd8]
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/m]
_cell_length_a [7.3044]
_cell_length_b [4.5780]
_cell_length_c [8.1737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(AsPd2)2]
_chemical_formula_sum '[Ca2 As4 Pd8]'
_cell_volume [253.8469]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1.0
  As  As1  4  0.2367  0.0000  0.7579  1.0
  Pd  Pd2  4  0.0615  0.5000  0.7117  1.0
  Pd  Pd3  4  0.1490  0.0000  0.4288  1.0
]