data_[Li2Pm2Mg6]
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 [P2_1/m]
_cell_length_a [7.2723]
_cell_length_b [4.5036]
_cell_length_c [7.8644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiPmMg3]
_chemical_formula_sum '[Li2 Pm2 Mg6]'
_cell_volume [249.1904]
_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  0.4751  0.2500  0.2570  1
  Pm  Pm1  2  0.1729  0.2500  0.6572  1
  Mg  Mg2  2  0.0771  0.2500  0.1434  1
  Mg  Mg3  2  0.3184  0.7500  0.3948  1
  Mg  Mg4  2  0.3491  0.7500  0.0166  1
]