data_[Mn2Nb4Zn3O16]
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
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1913]
_cell_length_b [5.9440]
_cell_length_c [9.9583]
_cell_angle_alpha [102.4857]
_cell_angle_beta [90.0238]
_cell_angle_gamma [91.3721]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn2Nb4Zn3O16]
_chemical_formula_sum '[Mn2 Nb4 Zn3 O16]'
_cell_volume [299.9300]
_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  0.2469  0.6388  0.9938  1
  Mn  Mn1  1  0.7574  0.3452  0.9969  1
  Nb  Nb2  1  0.2413  0.2889  0.2521  1
  Nb  Nb3  1  0.2515  0.0540  0.7769  1
  Nb  Nb4  1  0.7339  0.9469  0.2192  1
  Nb  Nb5  1  0.7573  0.7033  0.7472  1
  Zn  Zn6  1  0.2354  0.8753  0.4653  1
  Zn  Zn7  1  0.7235  0.5551  0.4353  1
  Zn  Zn8  1  0.7724  0.1288  0.5551  1
  O  O9  1  0.0608  0.7381  0.6491  1
  O  O10  1  0.0611  0.9579  0.1373  1
  O  O11  1  0.0803  0.4317  0.1046  1
  O  O12  1  0.1372  0.1572  0.6184  1
  O  O13  1  0.3641  0.5671  0.3664  1
  O  O14  1  0.4145  0.7983  0.8650  1
  O  O15  1  0.4232  0.0749  0.3499  1
  O  O16  1  0.4466  0.3119  0.8853  1
  O  O17  1  0.5606  0.6886  0.1104  1
  O  O18  1  0.5620  0.9204  0.6448  1
  O  O19  1  0.5779  0.1959  0.1317  1
  O  O20  1  0.6490  0.4439  0.6102  1
  O  O21  1  0.8582  0.8419  0.3879  1
  O  O22  1  0.9195  0.2800  0.3489  1
  O  O23  1  0.9215  0.5566  0.8890  1
  O  O24  1  0.9285  0.0401  0.8675  1
]