data_ZrAlSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   137.16
_cell_angle_beta   137.16
_cell_angle_gamma   62.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlSn2
_chemical_formula_sum   'Zr1 Al1 Sn2'
_cell_volume   87.43
_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  Zr3  1  0.0  0.1  0.47  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.1  0.0  0.47  1.0
  Sn  Sn2  1  0.0  0.0  0.93  1.0

data_ZrAlSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.76
_cell_angle_alpha   111.42
_cell_angle_beta   111.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlSn2
_chemical_formula_sum   'Zr1 Al1 Sn2'
_cell_volume   87.43
_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  0.36  0.47  0.36  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.47  0.36  0.36  1.0
  Sn  Sn3  1  0.93  0.93  0.93  1.0

Zr Al Sn Sn