data_[Er12In2Pb2]
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 [6.9384]
_cell_length_b [12.0400]
_cell_length_c [6.9430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6InPb]
_chemical_formula_sum '[Er12 In2 Pb2]'
_cell_volume [510.1210]
_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  0.2497  0.2098  0.2464  1
  Er  Er1  4  0.2492  0.5000  0.2477  1
  In  In2  2  0.0000  0.0000  0.0000  1
  Pb  Pb3  2  0.0000  0.5000  0.5000  1
]