data_Zr2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   143.31
_cell_angle_beta   138.87
_cell_angle_gamma   56.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2In
_chemical_formula_sum   'Zr2 In1'
_cell_volume   75.18
_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  Zr1  1  0.0  0.0  0.74  1.0
  Zr  Zr2  1  0.0  0.0  0.45  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_Zr2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.06
_cell_length_c   5.78
_cell_angle_alpha   110.56
_cell_angle_beta   108.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2In
_chemical_formula_sum   'Zr2 In1'
_cell_volume   75.18
_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  0.26  0.26  0.26  1.0
  Zr  Zr1  1  0.55  0.55  0.55  1.0
  In  In2  1  0.0  0.0  0.0  1.0

Zr Zr In