data_Sc2SnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   7.24
_cell_angle_alpha   152.35
_cell_angle_beta   148.15
_cell_angle_gamma   42.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SnSe
_chemical_formula_sum   'Sc2 Sn1 Se1'
_cell_volume   92.71
_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  0.96  1.0
  Sc  Sc1  1  0.0  0.99  0.67  1.0
  Sn  Sn3  1  0.73  0.0  0.05  1.0
  Se  Se2  1  0.0  0.0  0.3  1.0

data_Sc2SnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.97
_cell_length_c   7.24
_cell_angle_alpha   105.92
_cell_angle_beta   103.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SnSe
_chemical_formula_sum   'Sc2 Sn1 Se1'
_cell_volume   92.71
_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  0.04  0.04  0.04  1.0
  Sc  Sc1  1  0.33  0.32  0.32  1.0
  Sn  Sn2  1  0.68  0.95  0.68  1.0
  Se  Se3  1  0.7  0.7  0.7  1.0

Sc Sc Sn Se