data_[Li4Ga5Ge2]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0483]
_cell_length_b [2.9043]
_cell_length_c [9.1155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li4Ga5Ge2]
_chemical_formula_sum '[Li4 Ga5 Ge2]'
_cell_volume [186.0928]
_cell_formula_units_Z [1]
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  0.1732  0.5000  0.8955  1.0
  Li  Li1  2  0.2868  0.5000  0.4448  1.0
  Ga  Ga2  2  0.1863  0.0000  0.1594  1.0
  Ga  Ga3  2  0.4446  0.0000  0.7045  1.0
  Ga  Ga4  1  0.5000  0.0000  0.0000  1.0
  Ge  Ge5  2  0.0617  0.0000  0.6357  1.0
]