data_ScSbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   137.26
_cell_angle_beta   137.26
_cell_angle_gamma   62.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSbMo2
_chemical_formula_sum   'Sc1 Sb1 Mo2'
_cell_volume   73.0
_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
  Sb  Sb2  1  0.0  0.0  0.66  1.0
  Mo  Mo0  1  0.98  0.0  0.33  1.0
  Mo  Mo1  1  0.0  0.98  0.33  1.0

data_ScSbMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   121.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScSbMo2
_chemical_formula_sum   'Sc2 Sb2 Mo4'
_cell_volume   146.01
_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
  Sb  Sb1  2  0.34  0.0  0.34  1.0
  Mo  Mo2  4  0.16  0.49  0.65  1.0

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