data_[Pr2Er2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3314]
_cell_length_b [4.8623]
_cell_length_c [6.0307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrErPb2]
_chemical_formula_sum '[Pr2 Er2 Pb4]'
_cell_volume [247.3718]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.5000  1.0
  Er  Er1  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  4  0.2446  0.0000  0.2289  1.0
]