data_[Zr2Mn4Nb2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.6604]
_cell_length_b [6.7926]
_cell_length_c [6.1925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [ZrMn2NbO8]
_chemical_formula_sum '[Zr2 Mn4 Nb2 O16]'
_cell_volume [280.1581]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  4  0.0000  0.5000  0.2491  1.0
  Nb  Nb2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0000  0.1972  0.2388  1.0
  O  O4  4  0.1829  0.5000  0.5000  1.0
  O  O5  4  0.1907  0.5000  0.0000  1.0
]