data_[Li2In2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.3924]
_cell_length_b [3.8181]
_cell_length_c [7.2190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [LiInC]
_chemical_formula_sum '[Li2 In2 C2]'
_cell_volume [93.5024]
_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  0.0000  0.0000  0.7563  1
  Li  Li1  1  0.5000  0.5000  0.5822  1
  In  In2  1  0.0000  0.0000  0.3153  1
  In  In3  1  0.5000  0.5000  0.9759  1
  C  C4  1  0.0000  0.5000  0.7786  1
  C  C5  1  0.5000  0.5000  0.2847  1
]