data_[Li4Ga6Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0788]
_cell_length_b [3.9299]
_cell_length_c [6.4154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ga3Ni2]
_chemical_formula_sum '[Li4 Ga6 Ni4]'
_cell_volume [210.7072]
_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  4  0.1513  0.0000  0.7830  1.0
  Ga  Ga1  4  0.1322  0.5000  0.4523  1.0
  Ga  Ga2  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni3  4  0.1252  0.0000  0.2023  1.0
]