data_ScZn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   132.56
_cell_angle_beta   132.56
_cell_angle_gamma   69.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Sn
_chemical_formula_sum   'Sc1 Zn2 Sn1'
_cell_volume   76.77
_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  Zn2  1  0.0  0.11  0.16  1.0
  Zn  Zn3  1  0.11  0.0  0.16  1.0
  Sn  Sn1  1  0.0  0.0  0.31  1.0

data_ScZn2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   124.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScZn2Sn
_chemical_formula_sum   'Sc2 Zn4 Sn2'
_cell_volume   153.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Zn  Zn1  4  0.4  0.45  0.95  1.0
  Sn  Sn2  2  0.19  0.5  0.69  1.0

Sc Zn Zn Sn