data_[Ca4In4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.5587]
_cell_length_b [5.5219]
_cell_length_c [13.1097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CaInPd2]
_chemical_formula_sum '[Ca4 In4 Pd8]'
_cell_volume [402.4023]
_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  2  0.2500  0.0000  0.4256  1
  Ca  Ca1  2  0.2500  0.5000  0.0950  1
  In  In2  2  0.2500  0.0000  0.6913  1
  In  In3  2  0.2500  0.5000  0.6782  1
  Pd  Pd4  4  0.2500  0.2583  0.8624  1
  Pd  Pd5  2  0.0000  0.0000  0.0000  1
  Pd  Pd6  2  0.0000  0.5000  0.5000  1
]