data_Mn2NbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   127.05
_cell_angle_beta   127.05
_cell_angle_gamma   78.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbCl
_chemical_formula_sum   'Mn2 Nb1 Cl1'
_cell_volume   61.42
_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  Mn1  1  0.07  0.0  0.8  1.0
  Mn  Mn2  1  0.0  0.0  0.6  1.0
  Nb  Nb3  1  0.0  0.07  0.8  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Mn2NbCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   4.63
_cell_angle_alpha   116.48
_cell_angle_beta   116.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbCl
_chemical_formula_sum   'Mn2 Nb1 Cl1'
_cell_volume   61.42
_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  0.6  0.6  0.6  1.0
  Mn  Mn1  1  0.8  0.73  0.73  1.0
  Nb  Nb2  1  0.73  0.8  0.73  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Mn Mn Nb Cl