data_[Li4Pm2Tm4Mg10]
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
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.5304]
_cell_length_b [10.5304]
_cell_length_c [4.4482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li2PmTm2Mg5]
_chemical_formula_sum '[Li4 Pm2 Tm4 Mg10]'
_cell_volume [493.2551]
_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  4  0.1140  0.6140  0.0000  1
  Pm  Pm1  2  0.0000  0.0000  0.0000  1
  Tm  Tm2  4  0.1798  0.3202  0.0000  1
  Mg  Mg3  8  0.0641  0.7835  0.5000  1
  Mg  Mg4  2  0.0000  0.5000  0.5000  1
]