data_[Pm12Pb4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.4868]
_cell_length_b [6.8814]
_cell_length_c [10.6778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pm3PbSe]
_chemical_formula_sum '[Pm12 Pb4 Se4]'
_cell_volume [637.7940]
_cell_formula_units_Z [4]
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
[
  Pm  Pm0  4  0.0530  0.5877  0.8352  1
  Pm  Pm1  4  0.2030  0.0834  0.0320  1
  Pm  Pm2  4  0.4025  0.6857  0.3206  1
  Pb  Pb3  4  0.3584  0.2030  0.3490  1
  Se  Se4  4  0.0948  0.7342  0.1020  1
]