data_[K2Sr2Mn2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  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 [6.0211]
_cell_length_b [5.8042]
_cell_length_c [7.4629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSrMnO4]
_chemical_formula_sum '[K2 Sr2 Mn2 O8]'
_cell_volume [252.1535]
_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  0.2889  0.7500  0.0671  1.0
  Sr  Sr1  2  0.2233  0.7500  0.5512  1.0
  Mn  Mn2  2  0.2352  0.2500  0.3116  1.0
  O  O3  4  0.0519  0.0172  0.2842  1.0
  O  O4  2  0.3917  0.2500  0.5389  1.0
  O  O5  2  0.4218  0.2500  0.1731  1.0
]