data_[Nd2Er16C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8885]
_cell_length_b [3.5740]
_cell_length_c [12.3102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.2371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd(Er2C)4]
_chemical_formula_sum '[Nd2 Er16 C8]'
_cell_volume [582.6967]
_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
[
  Nd  Nd0  2  0.0000  0.5000  0.0000  1
  Er  Er1  4  0.0414  0.5000  0.7306  1
  Er  Er2  4  0.1394  0.0000  0.5981  1
  Er  Er3  4  0.1646  0.0000  0.3489  1
  Er  Er4  4  0.2067  0.0000  0.0643  1
  C  C5  4  0.1486  0.5000  0.4680  1
  C  C6  4  0.1670  0.0000  0.8253  1
]