data_[Li4Zn2Ga5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8409]
_cell_length_b [2.8707]
_cell_length_c [9.1433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li4Zn2Ga5]
_chemical_formula_sum '[Li4 Zn2 Ga5]'
_cell_volume [178.7304]
_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  0.1683  0.5000  0.8926  1.0
  Li  Li1  2  0.2866  0.5000  0.4435  1.0
  Zn  Zn2  2  0.0593  0.0000  0.6351  1.0
  Ga  Ga3  2  0.1884  0.0000  0.1648  1.0
  Ga  Ga4  2  0.4358  0.0000  0.7024  1.0
  Ga  Ga5  1  0.5000  0.0000  0.0000  1.0
]