data_[Li4Pm7]
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
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.8929]
_cell_length_b [8.8929]
_cell_length_c [18.8414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Li4Pm7]
_chemical_formula_sum '[Li4 Pm7]'
_cell_volume [1290.4250]
_cell_formula_units_Z [1]
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  3  0.0000  0.5000  0.5980  1
  Li  Li1  1  0.0000  0.0000  0.5591  1
  Pm  Pm2  6  0.2096  0.4192  0.4588  1
  Pm  Pm3  1  0.0000  0.0000  0.3941  1
]