data_[Li6Pm4Sm2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2230]
_cell_length_b [12.5128]
_cell_length_c [6.9503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Pm2SmSe6]
_chemical_formula_sum '[Li6 Pm4 Sm2 Se12]'
_cell_volume [589.3809]
_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  4  0.0000  0.1663  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Pm  Pm2  4  0.0000  0.3333  0.0000  1
  Sm  Sm3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2480  0.3340  0.7418  1
  Se  Se5  4  0.2462  0.0000  0.7421  1
]