data_InMoBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   142.9
_cell_angle_beta   142.9
_cell_angle_gamma   53.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InMoBr2
_chemical_formula_sum   'In1 Mo1 Br2'
_cell_volume   114.52
_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  0.17  0.0  0.04  1.0
  Mo  Mo3  1  0.0  0.0  0.09  1.0
  Br  Br0  1  0.0  0.17  0.04  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_InMoBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   6.82
_cell_angle_alpha   108.55
_cell_angle_beta   108.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InMoBr2
_chemical_formula_sum   'In1 Mo1 Br2'
_cell_volume   114.52
_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  0.96  0.0  0.12  1.0
  Mo  Mo1  1  0.91  0.0  0.91  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.12  0.17  0.12  1.0

In Mo Br Br