data_Mg2NiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.89
_cell_angle_alpha   108.7
_cell_angle_beta   108.7
_cell_angle_gamma   38.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NiBi
_chemical_formula_sum   'Mg2 Ni1 Bi1'
_cell_volume   88.04
_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  0.13  0.0  0.34  1.0
  Mg  Mg2  1  0.68  0.0  0.68  1.0
  Ni  Ni3  1  0.38  0.0  0.36  1.0
  Bi  Bi0  1  0.17  0.0  0.46  1.0

data_Mg2NiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.07
_cell_length_c   5.89
_cell_angle_alpha   108.7
_cell_angle_beta   90.0
_cell_angle_gamma   109.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NiBi
_chemical_formula_sum   'Mg2 Ni1 Bi1'
_cell_volume   88.04
_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  0.0  0.32  0.32  1.0
  Mg  Mg1  1  0.0  0.87  0.66  1.0
  Ni  Ni2  1  0.0  0.62  0.64  1.0
  Bi  Bi3  1  0.0  0.83  0.54  1.0

Mg Mg Ni Bi