data_ZrZn2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2In
_chemical_formula_sum   'Zr1 Zn2 In1'
_cell_volume   75.79
_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  0.89  1.0
  Zn  Zn1  1  0.0  0.0  0.09  1.0
  Zn  Zn2  1  0.21  0.0  0.72  1.0
  In  In0  1  0.21  0.0  0.67  1.0

data_ZrZn2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2In
_chemical_formula_sum   'Zr1 Zn2 In1'
_cell_volume   75.79
_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  0.89  1.0
  Zn  Zn1  1  0.0  0.0  0.09  1.0
  Zn  Zn2  1  0.21  0.0  0.72  1.0
  In  In3  1  0.21  0.0  0.67  1.0

Zr Zn Zn In
Zr Zn Zn In 0 2 o o o 0 1 o o + 2 3 o o o 