data_YMgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.41
_cell_length_c   3.79
_cell_angle_alpha   76.09
_cell_angle_beta   70.14
_cell_angle_gamma   33.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgBi
_chemical_formula_sum   'Y1 Mg1 Bi1'
_cell_volume   83.84
_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  0.42  0.92  1.0  1.0
  Mg  Mg1  1  0.42  0.92  0.8  1.0
  Bi  Bi0  1  0.42  0.92  0.08  1.0

data_YMgBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   11.88
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   129.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMgBi
_chemical_formula_sum   'Y2 Mg2 Bi2'
_cell_volume   167.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.5  0.5  0.42  1.0
  Mg  Mg1  2  0.3  0.5  0.22  1.0
  Bi  Bi2  2  0.08  0.0  0.5  1.0

Y Mg Bi