data_InB2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   141.68
_cell_angle_beta   141.68
_cell_angle_gamma   55.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InB2Mo
_chemical_formula_sum   'In1 B2 Mo1'
_cell_volume   50.33
_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  In2  1  0.67  0.0  0.25  1.0
  B  B0  1  0.0  0.67  0.25  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.51  1.0

data_InB2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   5.09
_cell_angle_alpha   109.16
_cell_angle_beta   109.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InB2Mo
_chemical_formula_sum   'In1 B2 Mo1'
_cell_volume   50.33
_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  0.75  0.0  0.42  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.42  0.67  0.42  1.0
  Mo  Mo3  1  0.49  0.0  0.49  1.0

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