data_Sc2InSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   140.31
_cell_angle_beta   135.9
_cell_angle_gamma   60.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InSn
_chemical_formula_sum   'Sc2 In1 Sn1'
_cell_volume   92.18
_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  0.02  0.0  0.12  1.0
  Sc  Sc2  1  0.0  0.0  0.69  1.0
  In  In0  1  0.0  0.0  0.49  1.0
  Sn  Sn3  1  0.02  0.0  0.07  1.0

data_Sc2InSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.46
_cell_length_c   5.94
_cell_angle_alpha   112.05
_cell_angle_beta   109.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InSn
_chemical_formula_sum   'Sc2 In1 Sn1'
_cell_volume   92.18
_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  0.31  0.31  0.31  1.0
  Sc  Sc1  1  0.9  0.88  0.9  1.0
  In  In2  1  0.51  0.51  0.51  1.0
  Sn  Sn3  1  0.95  0.93  0.95  1.0

Sc Sc In Sn
Sc Sc In Sn 0 3 o o o 1 2 o o o 