data_Y2CuBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CuBi
_chemical_formula_sum   'Y2 Cu1 Bi1'
_cell_volume   104.32
_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  0.41  0.0  0.48  1.0
  Y  Y3  1  0.0  0.0  0.23  1.0
  Cu  Cu1  1  0.0  0.0  0.07  1.0
  Bi  Bi0  1  0.41  0.0  0.85  1.0

data_Y2CuBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CuBi
_chemical_formula_sum   'Y2 Cu1 Bi1'
_cell_volume   104.32
_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  0.23  1.0
  Y  Y1  1  0.41  0.0  0.48  1.0
  Cu  Cu2  1  0.0  0.0  0.07  1.0
  Bi  Bi3  1  0.41  0.0  0.85  1.0

Y Y Cu Bi
Y Y Cu Bi 0 1 o o o 0 1 + o o 0 3 o o o 1 2 o o o 2 3 o o - 2 3 - o - 