data_[Li2Ni2C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.7695]
_cell_length_b [4.5532]
_cell_length_c [4.5910]
_cell_angle_alpha [103.7717]
_cell_angle_beta [104.1515]
_cell_angle_gamma [112.6686]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiNiC]
_chemical_formula_sum '[Li2 Ni2 C2]'
_cell_volume [65.4621]
_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  1  0.0329  0.5013  0.1580  1.0
  Li  Li1  1  0.1473  0.9399  0.8341  1.0
  Ni  Ni2  1  0.3979  0.4963  0.7315  1.0
  Ni  Ni3  1  0.6275  0.1292  0.4682  1.0
  C  C4  1  0.0781  0.0797  0.3612  1.0
  C  C5  1  0.7199  0.8528  0.1094  1.0
]