data_ScCr2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   144.42
_cell_angle_beta   127.11
_cell_angle_gamma   65.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCr2Mo
_chemical_formula_sum   'Sc1 Cr2 Mo1'
_cell_volume   59.71
_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  Sc3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.26  0.0  1.0
  Cr  Cr1  1  0.55  0.0  0.27  1.0
  Mo  Mo2  1  0.0  0.0  0.27  1.0

data_ScCr2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.52
_cell_length_c   5.07
_cell_angle_alpha   116.44
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCr2Mo
_chemical_formula_sum   'Sc1 Cr2 Mo1'
_cell_volume   59.71
_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  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.27  0.72  1.0
  Cr  Cr2  1  0.74  0.74  0.74  1.0
  Mo  Mo3  1  0.0  0.27  0.27  1.0

Sc Cr Cr Mo