data_YGaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   4.91
_cell_angle_alpha   109.81
_cell_angle_beta   109.81
_cell_angle_gamma   42.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaBi2
_chemical_formula_sum   'Y1 Ga1 Bi2'
_cell_volume   111.39
_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  Y3  1  0.67  0.0  0.29  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.91  0.0  0.14  1.0
  Bi  Bi1  1  0.44  0.0  0.43  1.0

data_YGaBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.91
_cell_length_c   5.98
_cell_angle_alpha   109.81
_cell_angle_beta   111.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaBi2
_chemical_formula_sum   'Y1 Ga1 Bi2'
_cell_volume   111.39
_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  0.29  0.67  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.14  0.91  1.0
  Bi  Bi3  1  0.0  0.43  0.44  1.0

Y Ga Bi Bi