data_[Ba3Pm3Tm12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pm  1.1300  1.8500  1.1100
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5128]
_cell_length_b [8.5128]
_cell_length_c [21.2809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaPm(TmSe2)4]
_chemical_formula_sum '[Ba3 Pm3 Tm12 Se24]'
_cell_volume [1335.5651]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.6283  1
  Pm  Pm1  3  0.0000  0.0000  0.9978  1
  Tm  Tm2  9  0.0038  0.5019  0.5006  1
  Tm  Tm3  3  0.0000  0.0000  0.3745  1
  Se  Se4  9  0.0130  0.5065  0.7551  1
  Se  Se5  9  0.1870  0.3739  0.5736  1
  Se  Se6  3  0.0000  0.0000  0.2426  1
  Se  Se7  3  0.0000  0.0000  0.7691  1
]