data_[Li5Pm1Mg4]
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 [P4/mmm]
_cell_length_a [3.4876]
_cell_length_b [3.4876]
_cell_length_c [17.7371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li5PmMg4]
_chemical_formula_sum '[Li5 Pm1 Mg4]'
_cell_volume [215.7414]
_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  2  0.5000  0.5000  0.1276  1
  Li  Li1  2  0.5000  0.5000  0.3131  1
  Li  Li2  1  0.5000  0.5000  0.5000  1
  Pm  Pm3  1  0.0000  0.0000  0.0000  1
  Mg  Mg4  2  0.0000  0.0000  0.2171  1
  Mg  Mg5  2  0.0000  0.0000  0.4060  1
]