data_[Pm2Nd8Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.8904]
_cell_length_b [4.1076]
_cell_length_c [12.5171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PmNd4Se7]
_chemical_formula_sum '[Pm2 Nd8 Se14]'
_cell_volume [690.6764]
_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  0.3871  0.5000  0.5781  1
  Nd  Nd1  2  0.0001  0.0000  0.9994  1
  Nd  Nd2  2  0.1123  0.0000  0.4223  1
  Nd  Nd3  2  0.1999  0.5000  0.8106  1
  Nd  Nd4  2  0.3006  0.0000  0.1900  1
  Se  Se5  2  0.0407  0.0000  0.7830  1
  Se  Se6  2  0.1605  0.5000  0.0504  1
  Se  Se7  2  0.2410  0.5000  0.3516  1
  Se  Se8  2  0.2606  0.0000  0.6493  1
  Se  Se9  2  0.3397  0.0000  0.9498  1
  Se  Se10  2  0.4592  0.5000  0.2155  1
  Se  Se11  2  0.4983  0.0000  0.5000  1
]