data_ZrInSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInSn2
_chemical_formula_sum   'Zr1 In1 Sn2'
_cell_volume   96.68
_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  0.0  0.0  1.0
  In  In0  1  0.29  0.0  0.0  1.0
  Sn  Sn1  1  0.64  0.76  0.64  1.0
  Sn  Sn2  1  0.64  0.24  0.64  1.0

data_ZrInSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   107.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInSn2
_chemical_formula_sum   'Zr1 In1 Sn2'
_cell_volume   96.68
_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  0.0  0.0  1.0
  In  In1  1  -0.0  0.29  0.0  1.0
  Sn  Sn2  1  0.64  0.64  0.24  1.0
  Sn  Sn3  1  0.64  0.64  0.76  1.0

Zr In Sn Sn