data_TiFeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88
_cell_length_b   8.88
_cell_length_c   8.88
_cell_angle_alpha   18.19
_cell_angle_beta   18.19
_cell_angle_gamma   18.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFeMo2
_chemical_formula_sum   'Ti1 Fe1 Mo2'
_cell_volume   59.55
_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
  Ti  Ti3  1  0.0  0.0  0.87  1.0
  Fe  Fe0  1  0.0  0.0  0.67  1.0
  Mo  Mo1  1  0.0  0.0  0.2  1.0
  Mo  Mo2  1  0.0  0.0  0.53  1.0

data_TiFeMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   2.81
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   100.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiFeMo2
_chemical_formula_sum   'Ti2 Fe2 Mo4'
_cell_volume   119.09
_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
  Ti  Ti0  2  0.0  0.0  0.13  1.0
  Fe  Fe1  2  0.0  0.0  0.33  1.0
  Mo  Mo2  2  0.0  0.0  0.47  1.0
  Mo  Mo3  2  0.0  0.0  0.8  1.0

Ti Fe Mo Mo
Ti Fe Mo Mo 0 1 o o o 0 2 o o + 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 