data_Mg2NbBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbBi
_chemical_formula_sum   'Mg2 Nb1 Bi1'
_cell_volume   88.06
_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  Mg1  1  0.48  0.62  0.56  1.0
  Mg  Mg2  1  0.48  0.38  0.56  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.95  0.0  0.0  1.0

data_Mg2NbBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   116.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbBi
_chemical_formula_sum   'Mg2 Nb1 Bi1'
_cell_volume   88.06
_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  Mg0  1  0.56  0.48  0.38  1.0
  Mg  Mg1  1  0.56  0.48  0.62  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.95  0.0  1.0

Mg Mg Nb Bi