data_InGe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   5.13
_cell_angle_alpha   97.04
_cell_angle_beta   97.04
_cell_angle_gamma   38.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGe2Mo
_chemical_formula_sum   'In1 Ge2 Mo1'
_cell_volume   74.47
_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  0.26  0.0  0.54  1.0
  Ge  Ge0  1  0.94  0.0  0.1  1.0
  Ge  Ge1  1  0.58  0.0  0.99  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_InGe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.86
_cell_length_c   5.13
_cell_angle_alpha   97.04
_cell_angle_beta   90.0
_cell_angle_gamma   109.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGe2Mo
_chemical_formula_sum   'In1 Ge2 Mo1'
_cell_volume   74.47
_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  0.74  0.46  1.0
  Ge  Ge1  1  0.0  0.06  0.9  1.0
  Ge  Ge2  1  0.0  0.42  0.01  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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