data_Zn2InB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   34.68
_cell_angle_beta   34.68
_cell_angle_gamma   34.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2InB
_chemical_formula_sum   'Zn2 In1 B1'
_cell_volume   67.96
_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  Zn2  1  0.0  0.0  0.33  1.0
  Zn  Zn3  1  0.0  0.0  0.05  1.0
  In  In1  1  0.0  0.0  0.69  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Zn2InB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.37
_cell_length_b   3.68
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   110.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2InB
_chemical_formula_sum   'Zn4 In2 B2'
_cell_volume   135.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.67  1.0
  Zn  Zn1  2  -0.0  0.0  0.95  1.0
  In  In2  2  -0.0  0.0  0.31  1.0
  B  B3  2  -0.0  0.0  0.0  1.0

Zn Zn In B