data_LiInB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   6.34
_cell_angle_alpha   105.02
_cell_angle_beta   105.02
_cell_angle_gamma   59.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInB2
_chemical_formula_sum   'Li1 In1 B2'
_cell_volume   51.73
_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  Li3  1  0.9  0.0  0.21  1.0
  In  In2  1  0.82  0.0  0.62  1.0
  B  B0  1  0.98  0.0  0.63  1.0
  B  B1  1  0.62  0.0  0.63  1.0

data_LiInB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   6.31
_cell_angle_alpha   76.26
_cell_angle_beta   75.59
_cell_angle_gamma   60.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInB2
_chemical_formula_sum   'Li1 In1 B2'
_cell_volume   51.73
_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  0.0  0.69  0.21  1.0
  In  In1  1  0.0  0.21  0.62  1.0
  B  B2  1  0.0  0.35  0.63  1.0
  B  B3  1  0.0  0.99  0.63  1.0

Li In B B