data_Y2ZrIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   5.6
_cell_angle_alpha   111.6
_cell_angle_beta   111.6
_cell_angle_gamma   32.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrIn
_chemical_formula_sum   'Y2 Zr1 In1'
_cell_volume   108.97
_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  0.75  0.0  0.81  1.0
  Y  Y2  1  0.5  0.0  0.57  1.0
  Zr  Zr3  1  0.33  0.0  0.42  1.0
  In  In0  1  0.12  0.0  0.12  1.0

data_Y2ZrIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.6
_cell_length_c   6.26
_cell_angle_alpha   111.6
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrIn
_chemical_formula_sum   'Y2 Zr1 In1'
_cell_volume   108.97
_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  0.0  0.57  0.5  1.0
  Y  Y1  1  0.0  0.81  0.75  1.0
  Zr  Zr2  1  0.0  0.42  0.33  1.0
  In  In3  1  0.0  0.12  0.12  1.0

Y Y Zr In