data_MgNb2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.74
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2In
_chemical_formula_sum   'Mg1 Nb2 In1'
_cell_volume   83.14
_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  0.0  0.0  0.6  1.0
  Nb  Nb2  1  0.68  0.87  0.31  1.0
  Nb  Nb3  1  0.0  0.0  0.34  1.0
  In  In0  1  0.68  0.87  0.34  1.0

data_MgNb2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.74
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2In
_chemical_formula_sum   'Mg1 Nb2 In1'
_cell_volume   83.14
_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  0.0  0.6  1.0
  Nb  Nb1  1  0.0  0.0  0.34  1.0
  Nb  Nb2  1  0.68  0.87  0.31  1.0
  In  In3  1  0.68  0.87  0.34  1.0

Mg Nb Nb In