data_[K6Zr2Mn4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5156]
_cell_length_b [9.4938]
_cell_length_c [6.4003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3ZrMn2O6]
_chemical_formula_sum '[K6 Zr2 Mn4 O12]'
_cell_volume [320.5465]
_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
[
  K  K0  4  0.0000  0.1699  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Zr  Zr2  2  0.0000  0.0000  0.0000  1
  Mn  Mn3  4  0.0000  0.3329  0.0000  1
  O  O4  8  0.2236  0.1693  0.1788  1
  O  O5  4  0.2211  0.5000  0.1775  1
]