data_ScV2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68
_cell_length_b   9.68
_cell_length_c   9.68
_cell_angle_alpha   16.69
_cell_angle_beta   16.69
_cell_angle_gamma   16.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Mo
_chemical_formula_sum   'Sc1 V2 Mo1'
_cell_volume   65.23
_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  0.0  0.0  0.54  1.0
  V  V3  1  0.0  0.0  0.09  1.0
  Mo  Mo0  1  0.0  0.0  0.32  1.0

data_ScV2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   2.81
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   99.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScV2Mo
_chemical_formula_sum   'Sc2 V4 Mo2'
_cell_volume   130.46
_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  0.0  0.0  0.0  1.0
  V  V1  2  0.0  0.0  0.46  1.0
  V  V2  2  0.0  0.0  0.91  1.0
  Mo  Mo3  2  0.0  0.0  0.68  1.0

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