data_[K2Mn2Cd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7083]
_cell_length_b [3.8547]
_cell_length_c [11.9872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMnCdSe3]
_chemical_formula_sum '[K2 Mn2 Cd2 Se6]'
_cell_volume [339.6740]
_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  0.0054  0.7500  0.3029  1.0
  Mn  Mn1  2  0.4546  0.7500  0.1142  1.0
  Cd  Cd2  2  0.4982  0.2500  0.3837  1.0
  Se  Se3  2  0.2654  0.2500  0.5241  1.0
  Se  Se4  2  0.2760  0.2500  0.1646  1.0
  Se  Se5  2  0.3269  0.7500  0.8852  1.0
]