data_Zr2ZnSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.84
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   94.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnSi
_chemical_formula_sum   'Zr2 Zn1 Si1'
_cell_volume   73.59
_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
  Zr  Zr2  1  0.31  0.92  0.68  1.0
  Zr  Zr3  1  0.33  0.92  0.5  1.0
  Zn  Zn1  1  0.77  0.0  0.09  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0

data_Zr2ZnSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.84
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   94.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnSi
_chemical_formula_sum   'Zr2 Zn1 Si1'
_cell_volume   73.59
_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
  Zr  Zr0  1  0.31  0.92  0.68  1.0
  Zr  Zr1  1  0.33  0.92  0.5  1.0
  Zn  Zn2  1  0.77  0.0  0.09  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Zr Zr Zn Si
Zr Zr Zn Si 0 1 o o o 2 3 + o o 