data_TiVMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   2.78
_cell_angle_alpha   101.31
_cell_angle_beta   101.31
_cell_angle_gamma   114.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVMo2
_chemical_formula_sum   'Ti1 V1 Mo2'
_cell_volume   61.07
_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  Ti2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.76  0.0  0.0  1.0
  Mo  Mo0  1  0.88  0.86  0.29  1.0
  Mo  Mo1  1  0.88  0.14  0.29  1.0

data_TiVMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   114.41
_cell_angle_beta   101.31
_cell_angle_gamma   101.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVMo2
_chemical_formula_sum   'Ti1 V1 Mo2'
_cell_volume   61.07
_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  Ti0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.76  0.0  1.0
  Mo  Mo2  1  0.29  0.88  0.14  1.0
  Mo  Mo3  1  0.29  0.88  0.86  1.0

Ti V Mo Mo