data_Y2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   138.75
_cell_angle_beta   138.75
_cell_angle_gamma   59.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SiBi
_chemical_formula_sum   'Y2 Si1 Bi1'
_cell_volume   102.2
_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  0.18  0.0  0.68  1.0
  Y  Y3  1  0.0  0.0  0.37  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.18  0.68  1.0

data_Y2SiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.19
_cell_angle_alpha   110.62
_cell_angle_beta   110.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SiBi
_chemical_formula_sum   'Y2 Si1 Bi1'
_cell_volume   102.2
_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  0.37  0.37  0.37  1.0
  Y  Y1  1  0.68  0.5  0.5  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.5  0.68  0.5  1.0

Y Y Si Bi
Y Y Si Bi 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 