data_Zr2AlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.53
_cell_angle_alpha   99.84
_cell_angle_beta   99.84
_cell_angle_gamma   35.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlSn
_chemical_formula_sum   'Zr2 Al1 Sn1'
_cell_volume   87.29
_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  0.29  0.0  0.31  1.0
  Zr  Zr3  1  0.76  0.0  0.13  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.52  0.0  0.72  1.0

data_Zr2AlSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.27
_cell_length_c   5.53
_cell_angle_alpha   99.84
_cell_angle_beta   90.0
_cell_angle_gamma   107.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlSn
_chemical_formula_sum   'Zr2 Al1 Sn1'
_cell_volume   87.29
_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  0.24  0.87  1.0
  Zr  Zr1  1  0.0  0.71  0.69  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.48  0.28  1.0

Zr Zr Al Sn