data_ZrMnNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnNb2
_chemical_formula_sum   'Zr1 Mn1 Nb2'
_cell_volume   69.92
_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
  Zr  Zr3  1  0.0  0.0  0.39  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.68  0.0  0.85  1.0
  Nb  Nb2  1  0.68  0.0  0.94  1.0

data_ZrMnNb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnNb2
_chemical_formula_sum   'Zr1 Mn1 Nb2'
_cell_volume   69.92
_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
  Zr  Zr0  1  0.0  0.0  0.39  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.68  0.0  0.85  1.0
  Nb  Nb3  1  0.68  0.0  0.94  1.0

Zr Mn Nb Nb
Zr Mn Nb Nb 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o o o 1 3 - o - 2 3 o o o 