data_[Er12Mg10Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3301]
_cell_length_b [16.0537]
_cell_length_c [7.4654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er6Mg5Pb]
_chemical_formula_sum '[Er12 Mg10 Pb2]'
_cell_volume [638.8065]
_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  0.0000  0.1685  0.2547  1
  Er  Er1  4  0.0000  0.5000  0.2527  1
  Mg  Mg2  4  0.0000  0.3277  0.0000  1
  Mg  Mg3  4  0.0000  0.3348  0.5000  1
  Mg  Mg4  2  0.0000  0.0000  0.5000  1
  Pb  Pb5  2  0.0000  0.0000  0.0000  1
]