data_SrZr2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   146.03
_cell_angle_beta   132.77
_cell_angle_gamma   59.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Al
_chemical_formula_sum   'Sr1 Zr2 Al1'
_cell_volume   101.02
_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  Sr1  1  0.0  0.52  0.44  1.0
  Zr  Zr2  1  0.0  0.0  0.04  1.0
  Zr  Zr3  1  0.84  0.0  0.14  1.0
  Al  Al0  1  0.0  0.0  0.3  1.0

data_SrZr2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.04
_cell_length_c   6.29
_cell_angle_alpha   113.62
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Al
_chemical_formula_sum   'Sr1 Zr2 Al1'
_cell_volume   101.02
_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  0.48  0.92  0.92  1.0
  Zr  Zr1  1  0.0  0.04  0.04  1.0
  Zr  Zr2  1  0.0  0.14  0.3  1.0
  Al  Al3  1  0.0  0.3  0.3  1.0

Sr Zr Zr Al