data_[Gd2Cr2C2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Cr  1.6600  1.4000  0.9400
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [4.6693]
_cell_length_b [4.6693]
_cell_length_c [9.6158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [GdCrCO6]
_chemical_formula_sum '[Gd2 Cr2 C2 O12]'
_cell_volume [181.5615]
_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
[
  Gd  Gd0  2  0.0000  0.0000  0.0000  1
  Cr  Cr1  2  0.3333  0.6667  0.2500  1
  C  C2  2  0.3333  0.6667  0.7500  1
  O  O3  12  0.0335  0.4034  0.6490  1
]