data_[Ca4In4Ge4Pd12]
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
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6636]
_cell_length_b [16.7782]
_cell_length_c [5.7193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaInGePd3]
_chemical_formula_sum '[Ca4 In4 Ge4 Pd12]'
_cell_volume [543.4716]
_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  4  0.0000  0.2856  0.2500  1
  In  In1  4  0.0000  0.3893  0.7500  1
  Ge  Ge2  4  0.0000  0.0874  0.7500  1
  Pd  Pd3  8  0.2483  0.5000  0.0000  1
  Pd  Pd4  4  0.0000  0.2321  0.7500  1
]