data_ZnIn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   3.82
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   119.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn2B
_chemical_formula_sum   'Zn1 In2 B1'
_cell_volume   76.83
_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  0.95  0.91  0.78  1.0
  In  In1  1  0.56  0.91  0.34  1.0
  In  In2  1  0.4  0.0  0.03  1.0
  B  B0  1  0.04  0.0  0.18  1.0

data_ZnIn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.77
_cell_length_c   4.85
_cell_angle_alpha   119.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn2B
_chemical_formula_sum   'Zn1 In2 B1'
_cell_volume   76.83
_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  Zn0  1  0.09  0.05  0.22  1.0
  In  In1  1  0.0  0.6  0.97  1.0
  In  In2  1  0.09  0.44  0.66  1.0
  B  B3  1  0.0  0.96  0.82  1.0

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