data_[Cs1Mn1Se1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8814]
_cell_length_b [6.9189]
_cell_length_c [7.4942]
_cell_angle_alpha [93.5403]
_cell_angle_beta [97.9914]
_cell_angle_gamma [108.9025]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsMnSeCl6]
_chemical_formula_sum '[Cs1 Mn1 Se1 Cl6]'
_cell_volume [332.1103]
_cell_formula_units_Z [1]
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  1  0.0480  0.0743  0.9811  1.0
  Mn  Mn1  1  0.7166  0.4847  0.3872  1.0
  Se  Se2  1  0.2839  0.4760  0.6492  1.0
  Cl  Cl3  1  0.2749  0.6728  0.8994  1.0
  Cl  Cl4  1  0.3926  0.2541  0.3937  1.0
  Cl  Cl5  1  0.6798  0.6563  0.6515  1.0
  Cl  Cl6  1  0.7006  0.3384  0.1096  1.0
  Cl  Cl7  1  0.9222  0.2848  0.5705  1.0
  Cl  Cl8  1  0.9811  0.7588  0.3575  1.0
]