data_YZnIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnIn2
_chemical_formula_sum   'Y1 Zn1 In2'
_cell_volume   96.44
_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
  Y  Y2  1  0.49  0.0  0.55  1.0
  Zn  Zn3  1  0.0  0.0  0.76  1.0
  In  In0  1  0.49  0.0  0.19  1.0
  In  In1  1  0.0  0.0  0.69  1.0

data_YZnIn2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   YZnIn2
_chemical_formula_sum   'Y1 Zn1 In2'
_cell_volume   96.52
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Y  Y0  1  0.0  0.0  0.55  1.0
  Zn  Zn1  1  0.5  0.0  0.76  1.0
  In  In2  1  0.0  0.0  0.19  1.0
  In  In3  1  0.5  0.0  0.69  1.0

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