data_Sc2SnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   7.04
_cell_angle_alpha   152.48
_cell_angle_beta   144.29
_cell_angle_gamma   45.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SnCl
_chemical_formula_sum   'Sc2 Sn1 Cl1'
_cell_volume   93.81
_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  0.16  0.99  1.0
  Sc  Sc2  1  0.0  0.0  0.54  1.0
  Sn  Sn3  1  0.0  0.16  0.58  1.0
  Cl  Cl0  1  0.0  0.0  0.35  1.0

data_Sc2SnCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.32
_cell_length_c   7.04
_cell_angle_alpha   107.85
_cell_angle_beta   103.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SnCl
_chemical_formula_sum   'Sc2 Sn1 Cl1'
_cell_volume   93.81
_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  0.01  0.16  0.16  1.0
  Sc  Sc1  1  0.46  0.46  0.46  1.0
  Sn  Sn2  1  0.42  0.57  0.57  1.0
  Cl  Cl3  1  0.65  0.65  0.65  1.0

Sc Sc Sn Cl