data_NbZnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43
_cell_length_b   8.43
_cell_length_c   8.43
_cell_angle_alpha   20.34
_cell_angle_beta   20.34
_cell_angle_gamma   20.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnSi2
_chemical_formula_sum   'Nb1 Zn1 Si2'
_cell_volume   63.23
_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
  Nb  Nb0  1  0.0  0.0  0.37  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.53  1.0
  Si  Si2  1  0.0  0.0  0.21  1.0

data_NbZnSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.15
_cell_length_b   2.97
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   101.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbZnSi2
_chemical_formula_sum   'Nb2 Zn2 Si4'
_cell_volume   126.45
_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
  Nb  Nb0  2  0.0  0.0  0.63  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Si  Si2  2  0.0  0.0  0.47  1.0
  Si  Si3  2  0.0  0.0  0.79  1.0

Nb Zn Si Si