data_[Er2Mg4Pb6]
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 [Pmma]
_cell_length_a [6.9389]
_cell_length_b [4.7485]
_cell_length_c [9.9065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ErMg2Pb3]
_chemical_formula_sum '[Er2 Mg4 Pb6]'
_cell_volume [326.4173]
_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  2  0.2500  0.0000  0.0537  1.0
  Mg  Mg1  2  0.0000  0.5000  0.5000  1.0
  Mg  Mg2  2  0.2500  0.0000  0.7024  1.0
  Pb  Pb3  4  0.0206  0.5000  0.8348  1.0
  Pb  Pb4  2  0.2500  0.0000  0.3989  1.0
]