data_InCuB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   4.25
_cell_angle_alpha   90.93
_cell_angle_beta   90.93
_cell_angle_gamma   56.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuB2
_chemical_formula_sum   'In1 Cu1 B2'
_cell_volume   54.21
_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
  In  In3  1  0.52  0.0  0.07  1.0
  Cu  Cu2  1  0.41  0.0  0.98  1.0
  B  B0  1  0.65  0.0  0.85  1.0
  B  B1  1  0.5  0.0  0.74  1.0

data_InCuB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.92
_cell_length_c   4.25
_cell_angle_alpha   90.93
_cell_angle_beta   90.0
_cell_angle_gamma   118.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuB2
_chemical_formula_sum   'In1 Cu1 B2'
_cell_volume   54.21
_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
  In  In0  1  0.0  0.48  0.93  1.0
  Cu  Cu1  1  0.0  0.59  0.02  1.0
  B  B2  1  0.0  0.35  0.15  1.0
  B  B3  1  0.0  0.5  0.26  1.0

In Cu B B