data_[Cs2Tm2Mn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  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 [6.6647]
_cell_length_b [6.7815]
_cell_length_c [9.9241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTmMnSe4]
_chemical_formula_sum '[Cs2 Tm2 Mn2 Se8]'
_cell_volume [423.9854]
_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  0.2521  0.2500  0.0578  1
  Tm  Tm1  2  0.2299  0.2500  0.5473  1
  Mn  Mn2  2  0.2231  0.7500  0.3369  1
  Se  Se3  4  0.0209  0.5072  0.6931  1
  Se  Se4  2  0.4292  0.7500  0.1891  1
  Se  Se5  2  0.4297  0.7500  0.5717  1
]