data_[Li51Pm3Mg3]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.5332]
_cell_length_b [9.5332]
_cell_length_c [15.1744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li17PmMg]
_chemical_formula_sum '[Li51 Pm3 Mg3]'
_cell_volume [1194.3272]
_cell_formula_units_Z [3]
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  18  0.0086  0.3122  0.0012  1
  Li  Li1  9  0.0425  0.5212  0.4937  1
  Li  Li2  9  0.0515  0.5258  0.8581  1
  Li  Li3  9  0.0808  0.5404  0.1476  1
  Li  Li4  3  0.0000  0.0000  0.0941  1
  Li  Li5  3  0.0000  0.0000  0.9145  1
  Pm  Pm6  3  0.0000  0.0000  0.6636  1
  Mg  Mg7  3  0.0000  0.0000  0.3226  1
]