data_[Pm8Y2Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.7017]
_cell_length_b [4.0630]
_cell_length_c [12.4066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pm4YSe7]
_chemical_formula_sum '[Pm8 Y2 Se14]'
_cell_volume [667.8528]
_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  0.1125  0.0000  0.4241  1
  Pm  Pm1  2  0.1992  0.5000  0.8090  1
  Pm  Pm2  2  0.3004  0.0000  0.1904  1
  Pm  Pm3  2  0.4994  0.5000  0.9983  1
  Y  Y4  2  0.3871  0.5000  0.5774  1
  Se  Se5  2  0.0383  0.0000  0.7804  1
  Se  Se6  2  0.1602  0.5000  0.0503  1
  Se  Se7  2  0.2427  0.5000  0.3544  1
  Se  Se8  2  0.2640  0.0000  0.6481  1
  Se  Se9  2  0.3385  0.0000  0.9490  1
  Se  Se10  2  0.4603  0.5000  0.2157  1
  Se  Se11  2  0.4974  0.0000  0.5029  1
]