data_ScTiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.02
_cell_length_c   2.97
_cell_angle_alpha   82.48
_cell_angle_beta   73.58
_cell_angle_gamma   23.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiMo
_chemical_formula_sum   'Sc1 Ti1 Mo1'
_cell_volume   55.53
_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
  Sc  Sc1  1  0.65  0.47  0.97  1.0
  Ti  Ti2  1  0.65  0.47  0.79  1.0
  Mo  Mo0  1  0.65  0.47  0.52  1.0

data_ScTiMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.3
_cell_length_b   13.64
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   123.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTiMo
_chemical_formula_sum   'Sc2 Ti2 Mo2'
_cell_volume   111.06
_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
  Sc  Sc0  2  0.47  0.0  0.38  1.0
  Ti  Ti1  2  0.47  0.0  0.56  1.0
  Mo  Mo2  2  0.47  0.0  0.83  1.0

Sc Ti Mo