data_Zr2InB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   4.73
_cell_angle_alpha   113.59
_cell_angle_beta   113.59
_cell_angle_gamma   32.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InB
_chemical_formula_sum   'Zr2 In1 B1'
_cell_volume   74.63
_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
  Zr  Zr2  1  0.96  0.0  0.22  1.0
  Zr  Zr3  1  0.83  0.0  0.91  1.0
  In  In1  1  0.21  0.0  0.21  1.0
  B  B0  1  0.46  0.0  0.41  1.0

data_Zr2InB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.73
_cell_length_c   5.7
_cell_angle_alpha   113.59
_cell_angle_beta   106.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InB
_chemical_formula_sum   'Zr2 In1 B1'
_cell_volume   74.63
_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
  Zr  Zr0  1  0.0  0.22  0.96  1.0
  Zr  Zr1  1  0.0  0.91  0.83  1.0
  In  In2  1  0.0  0.21  0.21  1.0
  B  B3  1  0.0  0.41  0.46  1.0

Zr Zr In B