data_MgNbFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   4.38
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   100.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbFe2
_chemical_formula_sum   'Mg1 Nb1 Fe2'
_cell_volume   58.12
_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  Mg2  1  0.95  0.0  0.35  1.0
  Nb  Nb3  1  0.94  0.19  0.9  1.0
  Fe  Fe0  1  0.61  0.0  0.99  1.0
  Fe  Fe1  1  0.85  0.19  0.25  1.0

data_MgNbFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.38
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   100.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbFe2
_chemical_formula_sum   'Mg1 Nb1 Fe2'
_cell_volume   58.12
_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  0.95  0.0  0.35  1.0
  Nb  Nb1  1  0.94  0.19  0.9  1.0
  Fe  Fe2  1  0.61  0.0  0.99  1.0
  Fe  Fe3  1  0.85  0.19  0.25  1.0

Mg Nb Fe Fe