data_[Er12Cr4C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cr  1.6600  1.4000  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.5035]
_cell_length_b [10.2858]
_cell_length_c [5.0415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er3CrC3]
_chemical_formula_sum '[Er12 Cr4 C12]'
_cell_volume [440.9596]
_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
[
  Er  Er0  8  0.2125  0.3816  0.2500  1
  Er  Er1  4  0.0000  0.1097  0.2500  1
  Cr  Cr2  4  0.0000  0.3043  0.7500  1
  C  C3  8  0.1990  0.3755  0.7500  1
  C  C4  4  0.0000  0.1245  0.7500  1
]