data_[Li4Ni4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3733]
_cell_length_b [3.8078]
_cell_length_c [7.4325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiNiCl]
_chemical_formula_sum '[Li4 Ni4 Cl4]'
_cell_volume [215.7048]
_cell_formula_units_Z [4]
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  0.2587  0.0000  0.8400  1
  Li  Li1  2  0.3286  0.5000  0.3821  1
  Ni  Ni2  2  0.0232  0.5000  0.6963  1
  Ni  Ni3  2  0.4558  0.5000  0.8252  1
  Cl  Cl4  2  0.1784  0.5000  0.5722  1
  Cl  Cl5  2  0.2171  0.0000  0.1370  1
]