data_YZrBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   4.97
_cell_angle_alpha   97.79
_cell_angle_beta   97.79
_cell_angle_gamma   39.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrBi2
_chemical_formula_sum   'Y1 Zr1 Bi2'
_cell_volume   111.3
_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  0.25  0.0  0.08  1.0
  Zr  Zr3  1  0.35  0.0  0.07  1.0
  Bi  Bi0  1  0.51  0.0  0.51  1.0
  Bi  Bi1  1  0.32  0.0  0.62  1.0

data_YZrBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.97
_cell_length_c   5.99
_cell_angle_alpha   97.79
_cell_angle_beta   109.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrBi2
_chemical_formula_sum   'Y1 Zr1 Bi2'
_cell_volume   111.3
_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  0.08  0.25  1.0
  Zr  Zr1  1  0.0  0.07  0.35  1.0
  Bi  Bi2  1  0.0  0.51  0.51  1.0
  Bi  Bi3  1  0.0  0.62  0.32  1.0

Y Zr Bi Bi