data_ScZn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   5.1
_cell_angle_alpha   102.95
_cell_angle_beta   102.95
_cell_angle_gamma   40.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Si
_chemical_formula_sum   'Sc1 Zn2 Si1'
_cell_volume   69.4
_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  0.75  0.0  0.4  1.0
  Zn  Zn2  1  0.85  0.0  0.86  1.0
  Zn  Zn3  1  0.3  0.0  0.98  1.0
  Si  Si1  1  0.21  0.0  0.14  1.0

data_ScZn2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.66
_cell_length_c   5.1
_cell_angle_alpha   102.95
_cell_angle_beta   90.0
_cell_angle_gamma   110.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Si
_chemical_formula_sum   'Sc1 Zn2 Si1'
_cell_volume   69.4
_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  0.25  0.6  1.0
  Zn  Zn1  1  0.0  0.15  0.14  1.0
  Zn  Zn2  1  0.0  0.7  0.02  1.0
  Si  Si3  1  0.0  0.79  0.86  1.0

Sc Zn Zn Si