data_MgFeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   4.7
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFeBi2
_chemical_formula_sum   'Mg1 Fe1 Bi2'
_cell_volume   94.17
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.0  0.35  0.51  1.0
  Bi  Bi0  1  1.0  0.0  0.51  1.0
  Bi  Bi1  1  1.0  0.35  0.0  1.0

data_MgFeBi2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.99
_cell_length_b   5.01
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   MgFeBi2
_chemical_formula_sum   'Mg1 Fe1 Bi2'
_cell_volume   94.17
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.5  0.65  1.0
  Bi  Bi2  1  0.0  0.0  0.65  1.0
  Bi  Bi3  1  0.0  0.5  0.0  1.0

Mg Fe Bi Bi