data_ZrZnIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   136.43
_cell_angle_beta   136.43
_cell_angle_gamma   63.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnIn2
_chemical_formula_sum   'Zr1 Zn1 In2'
_cell_volume   85.03
_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  0.1  0.0  0.41  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.82  1.0
  In  In1  1  0.0  0.1  0.41  1.0

data_ZrZnIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.66
_cell_angle_alpha   111.78
_cell_angle_beta   111.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnIn2
_chemical_formula_sum   'Zr1 Zn1 In2'
_cell_volume   85.03
_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  0.41  0.31  0.31  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.31  0.41  0.31  1.0
  In  In3  1  0.82  0.82  0.82  1.0

Zr Zn In In