data_Mg2NbSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   5.17
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   100.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbSb
_chemical_formula_sum   'Mg2 Nb1 Sb1'
_cell_volume   82.97
_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  0.06  0.58  0.06  1.0
  Mg  Mg1  1  0.9  0.58  0.29  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.98  0.0  0.68  1.0

data_Mg2NbSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.17
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   100.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbSb
_chemical_formula_sum   'Mg2 Nb1 Sb1'
_cell_volume   82.97
_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  0.06  0.58  0.06  1.0
  Mg  Mg1  1  0.9  0.58  0.29  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.98  0.0  0.68  1.0

Mg Mg Nb Sb
Mg Mg Nb Sb 0 1 - o o 2 3 - o - 