data_[Er4Fe4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.1640]
_cell_length_b [5.1642]
_cell_length_c [7.3452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [ErFeC2]
_chemical_formula_sum '[Er4 Fe4 C8]'
_cell_volume [192.8116]
_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  4  0.4978  0.4331  0.5047  1.0
  Fe  Fe1  4  0.4444  0.0662  0.8057  1.0
  C  C2  4  0.0166  0.4280  0.5676  1.0
  C  C3  4  0.1746  0.3126  0.7251  1.0
]