data_MnNb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   7.36
_cell_angle_alpha   151.36
_cell_angle_beta   151.36
_cell_angle_gamma   40.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb4
_chemical_formula_sum   'Mn1 Nb4'
_cell_volume   91.4
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.82  0.0  0.45  1.0
  Nb  Nb2  1  0.0  0.0  0.74  1.0
  Nb  Nb3  1  0.0  0.0  0.05  1.0
  Nb  Nb4  1  0.0  0.82  0.45  1.0

data_MnNb4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   110.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnNb4
_chemical_formula_sum   'Mn2 Nb8'
_cell_volume   182.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  4  0.41  0.41  0.37  1.0
  Nb  Nb2  2  0.0  0.0  0.26  1.0
  Nb  Nb3  2  0.0  0.0  0.95  1.0

Mn Nb Nb Nb Nb
Mn Nb Nb Nb Nb 0 3 o o o 1 4 + - o 1 2 + o o 2 4 o - o 