data_[Pm4Y6Se16]
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 [C2/m]
_cell_length_a [14.4471]
_cell_length_b [8.3039]
_cell_length_c [7.0513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm2Y3Se8]
_chemical_formula_sum '[Pm4 Y6 Se16]'
_cell_volume [797.5103]
_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  4  0.2406  0.5000  0.6619  1
  Y  Y1  4  0.0000  0.2610  0.0000  1
  Y  Y2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.1209  0.2376  0.4122  1
  Se  Se4  4  0.1162  0.0000  0.9216  1
  Se  Se5  4  0.1210  0.5000  0.9208  1
]