data_[Li4Tm4Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9667]
_cell_length_b [4.2910]
_cell_length_c [10.0927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiTmGa2]
_chemical_formula_sum '[Li4 Tm4 Ga8]'
_cell_volume [301.7145]
_cell_formula_units_Z [4]
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  0.0466  0.7500  0.4045  1
  Tm  Tm1  4  0.2086  0.2500  0.1728  1
  Ga  Ga2  4  0.0797  0.2500  0.8453  1
  Ga  Ga3  4  0.2176  0.7500  0.9644  1
]