data_[K2Sc2Mn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6864]
_cell_length_b [4.0518]
_cell_length_c [9.8227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KScMnSe3]
_chemical_formula_sum '[K2 Sc2 Mn2 Se6]'
_cell_volume [325.6825]
_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  0.2781  0.7500  0.7511  1
  Sc  Sc1  2  0.1685  0.2500  0.1325  1
  Mn  Mn2  2  0.4134  0.7500  0.3847  1
  Se  Se3  2  0.0328  0.2500  0.8471  1
  Se  Se4  2  0.2775  0.2500  0.4518  1
  Se  Se5  2  0.3864  0.7500  0.1302  1
]