data_Zr(AlSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   7.79
_cell_angle_alpha   115.19
_cell_angle_beta   115.19
_cell_angle_gamma   57.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(AlSi)2
_chemical_formula_sum   'Zr2 Al4 Si4'
_cell_volume   165.7
_cell_formula_units_Z   2
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  Zr8  1  0.75  0.89  0.7  1.0
  Zr  Zr9  1  0.86  0.11  0.11  1.0
  Al  Al0  1  0.03  0.69  0.51  1.0
  Al  Al1  1  0.68  0.69  0.7  1.0
  Al  Al2  1  0.57  0.31  0.3  1.0
  Al  Al3  1  0.93  0.31  0.1  1.0
  Si  Si4  1  0.15  0.67  0.31  1.0
  Si  Si5  1  0.35  0.67  0.09  1.0
  Si  Si6  1  0.46  0.33  0.5  1.0
  Si  Si7  1  0.25  0.33  0.71  1.0

data_Zr(AlSi)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.18
_cell_length_b   5.36
_cell_length_c   7.34
_cell_angle_alpha   73.81
_cell_angle_beta   69.34
_cell_angle_gamma   61.12
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zr(AlSi)2
_chemical_formula_sum   'Zr2 Al4 Si4'
_cell_volume   165.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.11  0.54  0.3  1.0
  Al  Al1  2  0.31  0.27  0.3  1.0
  Al  Al2  2  0.31  0.82  0.1  1.0
  Si  Si3  2  0.33  0.11  0.91  1.0
  Si  Si4  2  0.33  0.53  0.69  1.0

Zr Zr Al Al Al Al Si Si Si Si