data_[Li2Ga2Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.6105]
_cell_length_b [4.0710]
_cell_length_c [7.6192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiGaFe]
_chemical_formula_sum '[Li2 Ga2 Fe2]'
_cell_volume [80.9185]
_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  0.1494  0.7500  0.4094  1
  Ga  Ga1  2  0.4901  0.7500  0.7683  1
  Fe  Fe2  2  0.1211  0.2500  0.9242  1
]