data_[K4Ti2Mn2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.1136]
_cell_length_b [6.8844]
_cell_length_c [6.5517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [K2TiMnO4]
_chemical_formula_sum '[K4 Ti2 Mn2 O8]'
_cell_volume [275.7551]
_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  0.2496  0.7667  1.0
  Ti  Ti1  2  0.0000  0.5000  0.3222  1.0
  Mn  Mn2  2  0.0000  0.0000  0.3127  1.0
  O  O3  4  0.0000  0.2711  0.1720  1.0
  O  O4  4  0.2392  0.5000  0.4883  1.0
]