data_[Li2Zn2In1Ga1Ni2]
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
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2381]
_cell_length_b [4.2381]
_cell_length_c [6.0616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li2Zn2InGaNi2]
_chemical_formula_sum '[Li2 Zn2 In1 Ga1 Ni2]'
_cell_volume [108.8754]
_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  0.0000  0.5000  0.7665  1
  Zn  Zn1  1  0.0000  0.0000  0.5000  1
  Zn  Zn2  1  0.5000  0.5000  0.0000  1
  In  In3  1  0.5000  0.5000  0.5000  1
  Ga  Ga4  1  0.0000  0.0000  0.0000  1
  Ni  Ni5  2  0.0000  0.5000  0.2307  1
]