data_[Er8Mg4Pb12]
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 [Cmcm]
_cell_length_a [14.0493]
_cell_length_b [10.0093]
_cell_length_c [5.3410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er2MgPb3]
_chemical_formula_sum '[Er8 Mg4 Pb12]'
_cell_volume [751.0641]
_cell_formula_units_Z [4]
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  0.1185  0.1106  0.2500  1
  Mg  Mg1  4  0.0000  0.2028  0.7500  1
  Pb  Pb2  8  0.2433  0.3657  0.2500  1
  Pb  Pb3  4  0.0000  0.3994  0.2500  1
]