data_Sc2ZnSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   142.53
_cell_angle_beta   134.72
_cell_angle_gamma   60.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnSi
_chemical_formula_sum   'Sc2 Zn1 Si1'
_cell_volume   73.82
_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  0.07  1.0
  Sc  Sc1  1  0.0  0.14  0.34  1.0
  Zn  Zn3  1  0.79  0.0  0.7  1.0
  Si  Si2  1  0.0  0.0  0.52  1.0

data_Sc2ZnSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.29
_cell_length_c   5.57
_cell_angle_alpha   112.64
_cell_angle_beta   108.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnSi
_chemical_formula_sum   'Sc2 Zn1 Si1'
_cell_volume   73.82
_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  0.07  0.07  1.0
  Sc  Sc1  1  0.86  0.19  0.19  1.0
  Zn  Zn2  1  0.0  0.7  0.91  1.0
  Si  Si3  1  0.0  0.52  0.52  1.0

Sc Sc Zn Si