data_[Ca4Si2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6288]
_cell_length_b [4.2850]
_cell_length_c [8.4871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2SiPd]
_chemical_formula_sum '[Ca4 Si2 Pd2]'
_cell_volume [198.7466]
_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  0.2148  0.2500  0.4260  1.0
  Ca  Ca1  2  0.2840  0.7500  0.0705  1.0
  Si  Si2  2  0.1650  0.2500  0.7780  1.0
  Pd  Pd3  2  0.3312  0.7500  0.7229  1.0
]