data_[Er16In4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9687]
_cell_length_b [4.8854]
_cell_length_c [8.0302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8In2Pb]
_chemical_formula_sum '[Er16 In4 Pb2]'
_cell_volume [621.7018]
_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  0.0537  0.0000  0.7234  1.0
  Er  Er1  4  0.0952  0.5000  0.4556  1.0
  Er  Er2  4  0.1430  0.0000  0.2020  1.0
  Er  Er3  4  0.1813  0.5000  0.9368  1.0
  In  In4  4  0.2252  0.0000  0.6449  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]