data_ScV2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.29
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Mo
_chemical_formula_sum   'Sc1 V2 Mo1'
_cell_volume   64.82
_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  0.0  1.0
  V  V2  1  0.72  0.14  0.51  1.0
  V  V3  1  0.08  0.14  0.85  1.0
  Mo  Mo0  1  0.9  0.0  0.68  1.0

data_ScV2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.29
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Mo
_chemical_formula_sum   'Sc1 V2 Mo1'
_cell_volume   64.82
_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
  V  V1  1  0.08  0.14  0.85  1.0
  V  V2  1  0.72  0.14  0.51  1.0
  Mo  Mo3  1  0.9  0.0  0.68  1.0

Sc V V Mo
Sc V V Mo 0 2 o o - 1 3 o o o 2 3 - o o 