data_[Pm4Zr4Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0032]
_cell_length_b [14.5491]
_cell_length_c [8.9665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Pm2Zr2Se7]
_chemical_formula_sum '[Pm4 Zr4 Se14]'
_cell_volume [522.2322]
_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  0.0000  0.2736  0.5855  1
  Zr  Zr1  2  0.0000  0.0000  0.7795  1
  Zr  Zr2  2  0.0000  0.5000  0.8429  1
  Se  Se3  4  0.0000  0.1282  0.2966  1
  Se  Se4  4  0.0000  0.1789  0.8747  1
  Se  Se5  4  0.0000  0.3969  0.1051  1
  Se  Se6  2  0.0000  0.5000  0.5077  1
]