data_[Sr4Pd4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [8.2147]
_cell_length_b [2.8010]
_cell_length_c [9.3238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrPdC]
_chemical_formula_sum '[Sr4 Pd4 C4]'
_cell_volume [208.4635]
_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
[
  Sr  Sr0  4  0.0542  0.5000  0.1965  1
  Pd  Pd1  4  0.1574  0.5000  0.5751  1
  C  C2  4  0.2152  0.0000  0.0007  1
]