data_[Er2Pt9Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1029]
_cell_length_b [4.1029]
_cell_length_c [12.3770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Er2Pt9Pb]
_chemical_formula_sum '[Er2 Pt9 Pb1]'
_cell_volume [208.3521]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.3358  1
  Pt  Pt1  4  0.0000  0.5000  0.1704  1
  Pt  Pt2  2  0.0000  0.5000  0.5000  1
  Pt  Pt3  2  0.5000  0.5000  0.3331  1
  Pt  Pt4  1  0.5000  0.5000  0.0000  1
  Pb  Pb5  1  0.0000  0.0000  0.0000  1
]