data_[Li4Pm4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.0742]
_cell_length_b [4.0898]
_cell_length_c [6.0120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiPmO]
_chemical_formula_sum '[Li4 Pm4 O4]'
_cell_volume [261.9254]
_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  2  0.2084  0.0000  0.3802  1
  Li  Li1  2  0.2091  0.5000  0.6640  1
  Pm  Pm2  2  0.0457  0.5000  0.9959  1
  Pm  Pm3  2  0.4125  0.5000  0.3479  1
  O  O4  2  0.0252  0.0000  0.1330  1
  O  O5  2  0.2306  0.5000  0.3644  1
]