data_[K2Ca2Mn2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0071]
_cell_length_b [3.5613]
_cell_length_c [8.3418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCaMnO3]
_chemical_formula_sum '[K2 Ca2 Mn2 O6]'
_cell_volume [171.1341]
_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  2  0.1354  0.7500  0.6715  1
  Ca  Ca1  2  0.2632  0.2500  0.0363  1
  Mn  Mn2  2  0.3847  0.7500  0.3479  1
  O  O3  2  0.0949  0.7500  0.1726  1
  O  O4  2  0.3249  0.2500  0.4669  1
  O  O5  2  0.4702  0.2500  0.8372  1
]