data_[Li2Tm2Mg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.8752]
_cell_length_b [4.8752]
_cell_length_c [9.6095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiTmMgF6]
_chemical_formula_sum '[Li2 Tm2 Mg2 F12]'
_cell_volume [228.3973]
_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  0.0027  1.0
  Tm  Tm1  2  0.0000  0.0000  0.6681  1.0
  Mg  Mg2  2  0.0000  0.0000  0.3323  1.0
  F  F3  4  0.1888  0.8112  0.1726  1.0
  F  F4  4  0.1948  0.8052  0.4918  1.0
  F  F5  4  0.2076  0.7924  0.8340  1.0
]