data_ScSn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.99
_cell_angle_alpha   112.86
_cell_angle_beta   112.86
_cell_angle_gamma   46.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Mo
_chemical_formula_sum   'Sc1 Sn2 Mo1'
_cell_volume   82.88
_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
  Sn  Sn2  1  0.43  0.0  0.22  1.0
  Sn  Sn3  1  0.73  0.0  0.31  1.0
  Mo  Mo0  1  0.58  0.0  0.26  1.0

data_ScSn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.99
_cell_length_c   5.04
_cell_angle_alpha   112.86
_cell_angle_beta   113.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Mo
_chemical_formula_sum   'Sc1 Sn2 Mo1'
_cell_volume   82.88
_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
  Sn  Sn1  1  0.0  0.22  0.43  1.0
  Sn  Sn2  1  0.0  0.31  0.73  1.0
  Mo  Mo3  1  0.0  0.26  0.58  1.0

Sc Sn Sn Mo