data_[Li4Pm16Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0899]
_cell_length_b [12.7964]
_cell_length_c [6.3286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiPm4Ru]
_chemical_formula_sum '[Li4 Pm16 Ru4]'
_cell_volume [700.0052]
_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  0.0000  0.3787  0.7500  1
  Pm  Pm1  8  0.1017  0.1711  0.0485  1
  Pm  Pm2  8  0.2167  0.4158  0.3891  1
  Ru  Ru3  4  0.0000  0.0004  0.2500  1
]