data_[Li2Pm10Al6]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.2430]
_cell_length_b [9.2430]
_cell_length_c [6.6599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [LiPm5Al3]
_chemical_formula_sum '[Li2 Pm10 Al6]'
_cell_volume [492.7465]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.0000  1
  Pm  Pm1  6  0.0000  0.3106  0.2500  1
  Pm  Pm2  4  0.3333  0.6667  0.0000  1
  Al  Al3  6  0.0000  0.3486  0.7500  1
]