data_[Li2Ce2Pm2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6180]
_cell_length_b [4.0651]
_cell_length_c [8.9501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCePmSe3]
_chemical_formula_sum '[Li2 Ce2 Pm2 Se6]'
_cell_volume [306.0899]
_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
[
  Li  Li0  2  0.0865  0.7500  0.5842  1
  Ce  Ce1  2  0.1810  0.7500  0.2217  1
  Pm  Pm2  2  0.3358  0.2500  0.8373  1
  Se  Se3  2  0.0928  0.7500  0.8670  1
  Se  Se4  2  0.2143  0.2500  0.4950  1
  Se  Se5  2  0.4230  0.2500  0.1768  1
]