data_[Li1Zn1Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.4947]
_cell_length_b [3.8026]
_cell_length_c [4.9758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiZnNi2]
_chemical_formula_sum '[Li1 Zn1 Ni2]'
_cell_volume [46.7156]
_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  1  0.4898  0.5000  0.2416  1.0
  Zn  Zn1  1  0.9740  0.0000  0.5035  1.0
  Ni  Ni2  1  0.0305  0.0000  0.9980  1.0
  Ni  Ni3  1  0.5057  0.5000  0.7569  1.0
]