data_Y3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   149.28
_cell_angle_beta   63.54
_cell_angle_gamma   125.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3In
_chemical_formula_sum   'Y3 In1'
_cell_volume   126.98
_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  Y1  1  0.0  0.0  0.09  1.0
  Y  Y2  1  0.0  0.64  0.03  1.0
  Y  Y3  1  0.0  0.86  0.03  1.0
  In  In0  1  0.0  0.75  0.07  1.0

data_Y3In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   6.16
_cell_length_c   6.77
_cell_angle_alpha   117.07
_cell_angle_beta   105.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3In
_chemical_formula_sum   'Y3 In1'
_cell_volume   126.98
_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  Y0  1  0.03  0.38  0.38  1.0
  Y  Y1  1  0.03  0.17  0.17  1.0
  Y  Y2  1  0.09  0.09  0.09  1.0
  In  In3  1  0.07  0.32  0.32  1.0

Y Y Y In
Y Y Y In 0 2 o - o 1 3 o o o 