data_[Li2Pm6Cd6]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.4532]
_cell_length_b [5.0414]
_cell_length_c [21.3051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Li(PmCd)3]
_chemical_formula_sum '[Li2 Pm6 Cd6]'
_cell_volume [370.9045]
_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  0.0000  0.0000  0.5679  1
  Pm  Pm1  2  0.0000  0.0000  0.9991  1
  Pm  Pm2  2  0.0000  0.5000  0.1987  1
  Pm  Pm3  2  0.0000  0.5000  0.8012  1
  Cd  Cd4  2  0.0000  0.0000  0.4372  1
  Cd  Cd5  2  0.0000  0.5000  0.3585  1
  Cd  Cd6  2  0.0000  0.5000  0.6374  1
]