data_MgMn2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   4.14
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   98.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Nb
_chemical_formula_sum   'Mg1 Mn2 Nb1'
_cell_volume   57.01
_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  0.0  1.0
  Mn  Mn1  1  0.68  0.07  0.34  1.0
  Mn  Mn2  1  0.19  0.07  0.91  1.0
  Nb  Nb3  1  0.93  0.0  0.62  1.0

data_MgMn2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.14
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   98.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Nb
_chemical_formula_sum   'Mg1 Mn2 Nb1'
_cell_volume   57.01
_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  0.0  1.0
  Mn  Mn1  1  0.19  0.07  0.91  1.0
  Mn  Mn2  1  0.68  0.07  0.34  1.0
  Nb  Nb3  1  0.93  0.0  0.62  1.0

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