data_Sc2SbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SbMo
_chemical_formula_sum   'Sc2 Sb1 Mo1'
_cell_volume   83.48
_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  Sc2  1  0.88  0.0  0.73  1.0
  Sc  Sc3  1  0.88  0.0  0.01  1.0
  Sb  Sb1  1  0.0  0.0  0.37  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Sc2SbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SbMo
_chemical_formula_sum   'Sc2 Sb1 Mo1'
_cell_volume   83.48
_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  0.88  0.0  0.01  1.0
  Sc  Sc1  1  0.88  0.0  0.73  1.0
  Sb  Sb2  1  0.0  0.0  0.37  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Sc Sc Sb Mo