data_InHgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.06
_cell_angle_alpha   100.56
_cell_angle_beta   100.56
_cell_angle_gamma   34.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHgMo2
_chemical_formula_sum   'In1 Hg1 Mo2'
_cell_volume   73.36
_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  In1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.41  0.0  0.49  1.0
  Mo  Mo2  1  0.09  0.0  0.25  1.0
  Mo  Mo3  1  0.73  0.0  0.72  1.0

data_InHgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.06
_cell_length_c   5.12
_cell_angle_alpha   100.56
_cell_angle_beta   107.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHgMo2
_chemical_formula_sum   'In1 Hg1 Mo2'
_cell_volume   73.36
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.49  0.41  1.0
  Mo  Mo2  1  0.0  0.25  0.09  1.0
  Mo  Mo3  1  0.0  0.72  0.73  1.0

In Hg Mo Mo