data_SrZrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.83
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrSi2
_chemical_formula_sum   'Sr1 Zr1 Si2'
_cell_volume   88.82
_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
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.35  1.0
  Si  Si0  1  0.73  0.92  0.55  1.0
  Si  Si1  1  0.73  0.92  0.14  1.0

data_SrZrSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.83
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrSi2
_chemical_formula_sum   'Sr1 Zr1 Si2'
_cell_volume   88.82
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.0  0.0  0.35  1.0
  Si  Si2  1  0.73  0.92  0.14  1.0
  Si  Si3  1  0.73  0.92  0.55  1.0

Sr Zr Si Si
Sr Zr Si Si 0 3 - - o 1 3 - - o 1 2 - - o 