data_[Er2Cd2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.3632]
_cell_length_b [6.5226]
_cell_length_c [8.8677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [ErCdPb3]
_chemical_formula_sum '[Er2 Cd2 Pb6]'
_cell_volume [310.2066]
_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  2  0.0000  0.5000  0.8922  1
  Cd  Cd1  2  0.0000  0.0000  0.5700  1
  Pb  Pb2  4  0.0000  0.2509  0.2679  1
  Pb  Pb3  2  0.0000  0.0000  0.9141  1
]