data_[Zr2Pd2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pd  2.2000  1.4000  0.8462
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.5926]
_cell_length_b [3.2901]
_cell_length_c [7.5387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrPdC]
_chemical_formula_sum '[Zr2 Pd2 C2]'
_cell_volume [88.2763]
_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
[
  Zr  Zr0  1  0.0504  0.5000  0.1261  1
  Zr  Zr1  1  0.3868  0.0000  0.5077  1
  Pd  Pd2  1  0.5003  0.0000  0.9124  1
  Pd  Pd3  1  0.9517  0.5000  0.7273  1
  C  C4  1  0.5781  0.5000  0.3045  1
  C  C5  1  0.8831  0.5000  0.4343  1
]