data_YMgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgBi2
_chemical_formula_sum   'Y1 Mg1 Bi2'
_cell_volume   111.84
_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  Y3  1  0.58  0.58  0.0  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.58  0.0  0.11  1.0
  Bi  Bi1  1  0.0  0.58  0.11  1.0

data_YMgBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMgBi2
_chemical_formula_sum   'Y2 Mg2 Bi4'
_cell_volume   223.67
_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  0.08  0.5  -0.0  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  4  0.29  0.29  0.11  1.0

Y Mg Bi Bi
Y Mg Bi Bi 0 3 + o o 0 2 o + o 1 2 - o o 1 3 o - o 