data_Zr3Al2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al2Si3
_chemical_formula_sum   'Zr3 Al2 Si3'
_cell_volume   139.67
_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  Zr5  1  0.55  0.0  0.0  1.0
  Zr  Zr6  1  0.22  0.81  0.0  1.0
  Zr  Zr7  1  0.93  0.61  0.0  1.0
  Al  Al0  1  0.0  0.28  0.0  1.0
  Al  Al1  1  0.71  0.14  0.0  1.0
  Si  Si2  1  0.92  0.0  0.47  1.0
  Si  Si3  1  0.54  0.53  0.47  1.0
  Si  Si4  1  0.25  0.89  0.47  1.0

data_Zr3Al2Si3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   7.41
_cell_length_c   7.41
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al2Si3
_chemical_formula_sum   'Zr3 Al2 Si3'
_cell_volume   139.67
_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  0.0  0.55  0.0  1.0
  Zr  Zr1  1  0.0  0.93  0.61  1.0
  Zr  Zr2  1  0.0  0.22  0.81  1.0
  Al  Al3  1  0.0  0.71  0.14  1.0
  Al  Al4  1  0.0  0.0  0.28  1.0
  Si  Si5  1  0.47  0.25  0.89  1.0
  Si  Si6  1  0.47  0.54  0.53  1.0
  Si  Si7  1  0.47  0.92  0.0  1.0

Zr Zr Zr Al Al Si Si Si