data_[Li4Pm12In12]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4500]
_cell_length_b [4.7516]
_cell_length_c [15.4216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(PmIn)3]
_chemical_formula_sum '[Li4 Pm12 In12]'
_cell_volume [792.7085]
_cell_formula_units_Z [4]
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  0.2445  0.0000  0.4010  1
  Pm  Pm1  4  0.0427  0.5000  0.3843  1
  Pm  Pm2  4  0.0946  0.5000  0.9184  1
  Pm  Pm3  4  0.2430  0.5000  0.2213  1
  In  In4  4  0.0362  0.0000  0.2367  1
  In  In5  4  0.1202  0.0000  0.0724  1
  In  In6  4  0.1319  0.0000  0.5523  1
]