data_TiCoMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.06
_cell_length_c   2.71
_cell_angle_alpha   78.54
_cell_angle_beta   75.73
_cell_angle_gamma   25.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoMo
_chemical_formula_sum   'Ti1 Co1 Mo1'
_cell_volume   42.32
_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  0.81  0.02  0.05  1.0
  Co  Co0  1  0.81  0.02  0.53  1.0
  Mo  Mo1  1  0.81  0.02  0.55  1.0

data_TiCoMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.61
_cell_length_b   11.57
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   131.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiCoMo
_chemical_formula_sum   'Ti2 Co2 Mo2'
_cell_volume   84.64
_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  0.31  0.5  0.86  1.0
  Co  Co1  2  0.31  0.5  0.34  1.0
  Mo  Mo2  2  0.31  0.5  0.36  1.0

Ti Co Mo