data_Y2TaIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   133.23
_cell_angle_beta   133.23
_cell_angle_gamma   68.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TaIn
_chemical_formula_sum   'Y2 Ta1 In1'
_cell_volume   98.2
_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  0.0  1.0
  Y  Y3  1  0.28  0.0  0.37  1.0
  Ta  Ta1  1  0.0  0.28  0.37  1.0
  In  In0  1  0.0  0.0  0.74  1.0

data_Y2TaIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   5.73
_cell_angle_alpha   113.39
_cell_angle_beta   113.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TaIn
_chemical_formula_sum   'Y2 Ta1 In1'
_cell_volume   98.2
_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  0.0  0.0  1.0
  Y  Y1  1  0.37  0.1  0.1  1.0
  Ta  Ta2  1  0.1  0.37  0.1  1.0
  In  In3  1  0.74  0.74  0.74  1.0

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