data_ScZnSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   137.65
_cell_angle_beta   137.65
_cell_angle_gamma   61.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnSn2
_chemical_formula_sum   'Sc1 Zn1 Sn2'
_cell_volume   86.42
_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
  Zn  Zn3  1  0.0  0.09  0.48  1.0
  Sn  Sn1  1  0.09  0.0  0.48  1.0
  Sn  Sn2  1  0.0  0.0  0.96  1.0

data_ScZnSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.77
_cell_angle_alpha   111.18
_cell_angle_beta   111.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnSn2
_chemical_formula_sum   'Sc1 Zn1 Sn2'
_cell_volume   86.42
_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
  Zn  Zn1  1  0.6  0.09  0.6  1.0
  Sn  Sn2  1  0.04  0.0  0.04  1.0
  Sn  Sn3  1  0.52  0.0  0.6  1.0

Sc Zn Sn Sn