data_YMgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   3.8
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   93.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgBi2
_chemical_formula_sum   'Y1 Mg1 Bi2'
_cell_volume   113.56
_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  0.82  0.0  0.42  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.98  0.9  0.11  1.0
  Bi  Bi1  1  0.03  0.9  0.73  1.0

data_YMgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.37
_cell_length_c   6.85
_cell_angle_alpha   93.03
_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   113.56
_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  0.18  0.58  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.1  0.02  0.89  1.0
  Bi  Bi3  1  0.1  0.97  0.27  1.0

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