data_[Er8Fe6C10]
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 [C2/m]
_cell_length_a [11.1227]
_cell_length_b [3.7089]
_cell_length_c [9.4479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er4Fe3C5]
_chemical_formula_sum '[Er8 Fe6 C10]'
_cell_volume [353.1121]
_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
[
  Er  Er0  4  0.1053  0.0000  0.8971  1.0
  Er  Er1  4  0.2452  0.5000  0.6690  1.0
  Fe  Fe2  4  0.0439  0.5000  0.3340  1.0
  Fe  Fe3  2  0.0000  0.0000  0.5000  1.0
  C  C4  4  0.1024  0.5000  0.1826  1.0
  C  C5  4  0.1859  0.5000  0.1100  1.0
  C  C6  2  0.0000  0.5000  0.5000  1.0
]