data_NaScZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   6.58
_cell_angle_alpha   97.29
_cell_angle_beta   97.29
_cell_angle_gamma   37.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScZn2
_chemical_formula_sum   'Na1 Sc1 Zn2'
_cell_volume   90.37
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.06  0.0  0.26  1.0
  Zn  Zn2  1  0.59  0.0  0.92  1.0
  Zn  Zn3  1  0.54  0.0  0.6  1.0

data_NaScZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.76
_cell_length_c   6.58
_cell_angle_alpha   97.29
_cell_angle_beta   90.0
_cell_angle_gamma   108.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScZn2
_chemical_formula_sum   'Na1 Sc1 Zn2'
_cell_volume   90.37
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.94  0.74  1.0
  Zn  Zn2  1  0.0  0.41  0.08  1.0
  Zn  Zn3  1  0.0  0.46  0.4  1.0

Na Sc Zn Zn