data_ZnInB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.65
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnInB2
_chemical_formula_sum   'Zn1 In1 B2'
_cell_volume   56.94
_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
  Zn  Zn3  1  0.56  0.0  0.49  1.0
  In  In2  1  0.56  0.83  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.83  0.49  1.0

data_ZnInB2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.13
_cell_length_b   4.98
_cell_length_c   3.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZnInB2
_chemical_formula_sum   'Zn1 In1 B2'
_cell_volume   56.94
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Zn  Zn0  1  0.56  0.5  0.0  1.0
  In  In1  1  0.56  0.0  0.83  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  B  B3  1  0.0  0.5  0.83  1.0

Zn In B B
Zn In B B 0 3 + - o 1 2 + + o 