data_[Er24P9Pb9C3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7371]
_cell_length_b [7.7371]
_cell_length_c [23.1427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er8P3Pb3C]
_chemical_formula_sum '[Er24 P9 Pb9 C3]'
_cell_volume [1199.7804]
_cell_formula_units_Z [3]
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  18  0.0318  0.5159  0.7278  1.0
  Er  Er1  6  0.0000  0.0000  0.2674  1.0
  P  P2  9  0.0000  0.5000  0.0000  1.0
  Pb  Pb3  9  0.0000  0.5000  0.5000  1.0
  C  C4  3  0.0000  0.0000  0.0000  1.0
]