data_Y2CrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   39.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CrBi
_chemical_formula_sum   'Y2 Cr1 Bi1'
_cell_volume   108.01
_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  0.22  0.0  0.36  1.0
  Y  Y3  1  0.0  0.0  0.95  1.0
  Cr  Cr1  1  0.0  0.0  0.86  1.0
  Bi  Bi0  1  0.22  0.0  0.02  1.0

data_Y2CrBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.44
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   109.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CrBi
_chemical_formula_sum   'Y2 Cr1 Bi1'
_cell_volume   108.01
_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  0.05  0.0  0.05  1.0
  Y  Y1  1  0.64  0.22  0.64  1.0
  Cr  Cr2  1  0.14  0.0  0.14  1.0
  Bi  Bi3  1  0.98  0.22  0.98  1.0

Y Y Cr Bi
Y Y Cr Bi 0 3 o o o 1 2 o o o 1 3 o o + 