data_ZrAl2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   144.86
_cell_angle_beta   130.18
_cell_angle_gamma   62.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl2In
_chemical_formula_sum   'Zr1 Al2 In1'
_cell_volume   80.86
_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
  Al  Al0  1  0.0  0.4  0.45  1.0
  Al  Al1  1  0.72  0.0  0.43  1.0
  In  In2  1  0.0  0.0  0.88  1.0

data_ZrAl2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.81
_cell_length_c   5.71
_cell_angle_alpha   114.91
_cell_angle_beta   107.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl2In
_chemical_formula_sum   'Zr1 Al2 In1'
_cell_volume   80.86
_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
  Al  Al1  1  0.0  0.43  0.71  1.0
  Al  Al2  1  0.6  0.04  0.04  1.0
  In  In3  1  0.0  0.88  0.88  1.0

Zr Al Al In