data_[Li3Tm3Mg6Ag12]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7635]
_cell_length_b [4.7635]
_cell_length_c [23.6559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiTm(MgAg2)2]
_chemical_formula_sum '[Li3 Tm3 Mg6 Ag12]'
_cell_volume [464.8642]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1.0
  Tm  Tm1  3  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  6  0.0000  0.0000  0.2476  1.0
  Ag  Ag3  6  0.0000  0.0000  0.1271  1.0
  Ag  Ag4  6  0.0000  0.0000  0.3850  1.0
]