data_[Sr3Pm12Sm9Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4227]
_cell_length_b [8.4227]
_cell_length_c [20.6519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [SrPm4Sm3Se8]
_chemical_formula_sum '[Sr3 Pm12 Sm9 Se24]'
_cell_volume [1268.7858]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  -0.0000  -0.0000  0.0000  1
  Pm  Pm1  9  0.0000  0.5000  0.5000  1
  Pm  Pm2  3  -0.0000  -0.0000  0.5000  1
  Sm  Sm3  9  0.0000  0.5000  0.0000  1
  Se  Se4  18  0.0041  0.5021  0.2497  1
  Se  Se5  6  0.0000  0.0000  0.2508  1
]