data_ScTiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   145.63
_cell_angle_beta   120.25
_cell_angle_gamma   70.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiMo
_chemical_formula_sum   'Sc1 Ti1 Mo1'
_cell_volume   53.91
_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  0.0  0.0  0.26  1.0
  Ti  Ti2  1  0.0  0.0  0.55  1.0
  Mo  Mo0  1  0.0  0.0  0.05  1.0

data_ScTiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.81
_cell_length_c   4.82
_cell_angle_alpha   119.88
_cell_angle_beta   107.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiMo
_chemical_formula_sum   'Sc1 Ti1 Mo1'
_cell_volume   53.91
_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  Sc0  1  0.0  0.26  0.26  1.0
  Ti  Ti1  1  0.0  0.55  0.55  1.0
  Mo  Mo2  1  0.0  0.05  0.05  1.0

Sc Ti Mo