data_[Er12Pb6C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6553]
_cell_length_b [6.7261]
_cell_length_c [7.4479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Pb3C]
_chemical_formula_sum '[Er12 Pb6 C2]'
_cell_volume [555.1636]
_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  8  0.0992  0.2518  0.3704  1
  Er  Er1  4  0.1725  0.5000  0.8027  1
  Pb  Pb2  4  0.1852  0.0000  0.7459  1
  Pb  Pb3  2  0.0000  0.0000  0.0000  1
  C  C4  2  0.0000  0.5000  0.5000  1
]