data_[Zr12Pd6C2]
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 [P2_1/c]
_cell_length_a [5.9045]
_cell_length_b [7.4422]
_cell_length_c [10.1699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr6Pd3C]
_chemical_formula_sum '[Zr12 Pd6 C2]'
_cell_volume [391.6011]
_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  4  0.0715  0.0554  0.2373  1
  Zr  Zr1  4  0.2060  0.7301  0.0703  1
  Zr  Zr2  4  0.3727  0.1462  0.0441  1
  Pd  Pd3  4  0.3227  0.0993  0.7211  1
  Pd  Pd4  2  0.5000  0.0000  0.5000  1
  C  C5  2  0.0000  0.0000  0.0000  1
]