data_[Pm12Sm9Tm3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9986]
_cell_length_b [7.9986]
_cell_length_c [19.6417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm4Sm3TmS8]
_chemical_formula_sum '[Pm12 Sm9 Tm3 S24]'
_cell_volume [1088.2836]
_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
[
  Pm  Pm0  9  0.0000  0.5000  0.5000  1
  Pm  Pm1  3  -0.0000  -0.0000  0.5000  1
  Sm  Sm2  9  0.0000  0.5000  0.0000  1
  Tm  Tm3  3  -0.0000  -0.0000  0.0000  1
  S  S4  18  0.0084  0.5042  0.7471  1
  S  S5  6  0.0000  0.0000  0.2508  1
]