data_ZnIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   3.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn3
_chemical_formula_sum   'Zn1 In3'
_cell_volume   99.88
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.59  0.86  1.0
  In  In1  1  0.59  0.59  0.0  1.0
  In  In2  1  0.59  0.0  0.86  1.0

data_ZnIn3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.33
_cell_length_b   7.33
_cell_length_c   3.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnIn3
_chemical_formula_sum   'Zn2 In6'
_cell_volume   199.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  In  In1  4  0.3  0.3  0.86  1.0
  In  In2  2  0.09  0.5  0.0  1.0

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