data_[Er12In4Pb2]
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 [P2_1/c]
_cell_length_a [6.0428]
_cell_length_b [9.0446]
_cell_length_c [10.9261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er6In2Pb]
_chemical_formula_sum '[Er12 In4 Pb2]'
_cell_volume [524.8987]
_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  0.0857  0.0303  0.1887  1
  Er  Er1  4  0.1288  0.6818  0.0655  1
  Er  Er2  4  0.4667  0.1638  0.0633  1
  In  In3  4  0.3237  0.1281  0.7457  1
  Pb  Pb4  2  0.5000  0.0000  0.5000  1
]