data_[Pm8Tm2Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [13.6497]
_cell_length_b [4.0524]
_cell_length_c [12.3804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pm4TmSe7]
_chemical_formula_sum '[Pm8 Tm2 Se14]'
_cell_volume [661.8512]
_cell_formula_units_Z [2]
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  2  0.1123  0.0000  0.4252  1
  Pm  Pm1  2  0.1988  0.5000  0.8076  1
  Pm  Pm2  2  0.3005  0.0000  0.1915  1
  Pm  Pm3  2  0.4990  0.5000  0.9973  1
  Tm  Tm4  2  0.3870  0.5000  0.5770  1
  Se  Se5  2  0.0365  0.0000  0.7781  1
  Se  Se6  2  0.1602  0.5000  0.0504  1
  Se  Se7  2  0.2441  0.5000  0.3568  1
  Se  Se8  2  0.2671  0.0000  0.6475  1
  Se  Se9  2  0.3376  0.0000  0.9485  1
  Se  Se10  2  0.4611  0.5000  0.2156  1
  Se  Se11  2  0.4958  0.0000  0.5046  1
]