data_[Mn2Nb2Cl2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8040]
_cell_length_b [3.6321]
_cell_length_c [7.2957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnNbClO2]
_chemical_formula_sum '[Mn2 Nb2 Cl2 O4]'
_cell_volume [148.5792]
_cell_formula_units_Z [2]
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  2  0.2804  0.7500  0.4426  1
  Nb  Nb1  2  0.2814  0.2500  0.0502  1
  Cl  Cl2  2  0.1606  0.2500  0.6777  1
  O  O3  2  0.1463  0.7500  0.0521  1
  O  O4  2  0.3924  0.2500  0.3341  1
]