data_BaZnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.33
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   100.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnSi2
_chemical_formula_sum   'Ba1 Zn1 Si2'
_cell_volume   78.95
_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
  Ba  Ba0  1  0.07  0.0  0.88  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.74  0.17  0.63  1.0
  Si  Si2  1  0.4  0.17  0.13  1.0

data_BaZnSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.33
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   100.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnSi2
_chemical_formula_sum   'Ba1 Zn1 Si2'
_cell_volume   78.95
_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
  Ba  Ba0  1  0.07  0.0  0.88  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.4  0.17  0.13  1.0
  Si  Si3  1  0.74  0.17  0.63  1.0

Ba Zn Si Si