data_YZnIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   135.19
_cell_angle_beta   135.19
_cell_angle_gamma   65.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnIn2
_chemical_formula_sum   'Y1 Zn1 In2'
_cell_volume   95.15
_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  0.0  0.0  0.88  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.21  0.0  0.44  1.0
  In  In1  1  0.0  0.21  0.44  1.0

data_YZnIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   122.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YZnIn2
_chemical_formula_sum   'Y2 Zn2 In4'
_cell_volume   190.3
_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
  Y  Y0  2  0.12  0.0  0.12  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  In  In2  4  0.16  0.4  0.77  1.0

Y Zn In In