data_[Ca4Si4Pd4C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9056]
_cell_length_b [4.0568]
_cell_length_c [7.1925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.5805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Si2Pd2C]
_chemical_formula_sum '[Ca4 Si4 Pd4 C2]'
_cell_volume [252.1813]
_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  4  0.0649  0.5000  0.8401  1
  Si  Si1  4  0.1353  0.0000  0.5810  1
  Pd  Pd2  4  0.2094  0.0000  0.3045  1
  C  C3  2  0.0000  0.0000  0.0000  1
]