data_[Pr12Os2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Os  2.2000  1.3000  0.6730
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4520]
_cell_length_b [14.7726]
_cell_length_c [8.6144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pr6OsPb2]
_chemical_formula_sum '[Pr12 Os2 Pb4]'
_cell_volume [566.5396]
_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  4  0.0000  0.1156  0.1203  1.0
  Pr  Pr1  4  0.5000  0.1991  0.8037  1.0
  Pr  Pr2  2  0.0000  0.0000  0.7571  1.0
  Pr  Pr3  2  0.5000  0.0000  0.4077  1.0
  Os  Os4  2  0.5000  0.0000  0.9831  1.0
  Pb  Pb5  4  0.0000  0.1689  0.5020  1.0
]