data_[Er16Mg2Pb4]
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 [C2/m]
_cell_length_a [16.4776]
_cell_length_b [6.5053]
_cell_length_c [6.1847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8MgPb2]
_chemical_formula_sum '[Er16 Mg2 Pb4]'
_cell_volume [662.2039]
_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  0.0966  0.2526  0.3753  1
  Er  Er1  4  0.0782  0.5000  0.8705  1
  Er  Er2  4  0.1974  0.0000  0.8542  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Pb  Pb4  4  0.2397  0.5000  0.6540  1
]