data_[Cs2Sc2Mn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [9.4319]
_cell_length_b [4.1164]
_cell_length_c [10.2924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsScMnSe3]
_chemical_formula_sum '[Cs2 Sc2 Mn2 Se6]'
_cell_volume [366.2793]
_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
[
  Cs  Cs0  2  0.2257  0.7500  0.2492  1
  Sc  Sc1  2  0.3350  0.2500  0.8688  1
  Mn  Mn2  2  0.0869  0.7500  0.6161  1
  Se  Se3  2  0.1330  0.7500  0.8673  1
  Se  Se4  2  0.2086  0.2500  0.5559  1
  Se  Se5  2  0.4818  0.2500  0.1488  1
]