data_TiMnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   145.89
_cell_angle_beta   145.89
_cell_angle_gamma   49.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnMo
_chemical_formula_sum   'Ti1 Mn1 Mo1'
_cell_volume   42.42
_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  0.18  1.0
  Mn  Mn0  1  0.0  0.0  0.03  1.0
  Mo  Mo1  1  0.0  0.0  0.14  1.0

data_TiMnMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   114.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiMnMo
_chemical_formula_sum   'Ti2 Mn2 Mo2'
_cell_volume   84.84
_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  0.18  0.0  0.18  1.0
  Mn  Mn1  2  0.03  0.0  0.03  1.0
  Mo  Mo2  2  0.14  0.0  0.14  1.0

Ti Mn Mo