data_[Er12In10Pb2]
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 [6.4016]
_cell_length_b [10.8134]
_cell_length_c [9.9288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6In5Pb]
_chemical_formula_sum '[Er12 In10 Pb2]'
_cell_volume [674.5763]
_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  0.2454  0.3318  0.7464  1
  Er  Er1  4  0.2489  0.5000  0.2510  1
  In  In2  4  0.0000  0.1645  0.5000  1
  In  In3  4  0.0000  0.3323  0.0000  1
  In  In4  2  0.0000  0.5000  0.5000  1
  Pb  Pb5  2  0.0000  0.0000  0.0000  1
]