data_[Ca2Pm1Pb9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9221]
_cell_length_b [4.9221]
_cell_length_c [14.8353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ca2PmPb9]
_chemical_formula_sum '[Ca2 Pm1 Pb9]'
_cell_volume [359.4119]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.3323  1
  Pm  Pm1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  4  0.0000  0.5000  0.1677  1
  Pb  Pb3  2  0.0000  0.5000  0.5000  1
  Pb  Pb4  2  0.5000  0.5000  0.3339  1
  Pb  Pb5  1  0.5000  0.5000  0.0000  1
]