data_[K2Mg2Mn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1198]
_cell_length_b [2.9882]
_cell_length_c [8.1499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KMgMn2]
_chemical_formula_sum '[K2 Mg2 Mn4]'
_cell_volume [197.0548]
_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  0.4934  0.0000  0.4659  1
  Mg  Mg1  2  0.2717  0.0000  0.8442  1
  Mn  Mn2  2  0.0051  0.0000  0.0558  1
  Mn  Mn3  2  0.2298  0.5000  0.1340  1
]