data_ZrIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   4.43
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIn2Sn
_chemical_formula_sum   'Zr1 In2 Sn1'
_cell_volume   96.7
_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  0.79  0.22  0.46  1.0
  In  In1  1  0.79  0.22  0.65  1.0
  Sn  Sn2  1  0.0  0.0  0.05  1.0

data_ZrIn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.43
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIn2Sn
_chemical_formula_sum   'Zr1 In2 Sn1'
_cell_volume   96.7
_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  0.79  0.22  0.46  1.0
  In  In2  1  0.79  0.22  0.65  1.0
  Sn  Sn3  1  0.0  0.0  0.05  1.0

Zr In In Sn