data_[Cs2Tm2Mn2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2880]
_cell_length_b [4.0741]
_cell_length_c [9.9386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTmMnS3]
_chemical_formula_sum '[Cs2 Tm2 Mn2 S6]'
_cell_volume [349.2382]
_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  0.2195  0.2500  0.2435  1.0
  Tm  Tm1  2  0.3349  0.7500  0.8639  1.0
  Mn  Mn2  2  0.0864  0.2500  0.6143  1.0
  S  S3  2  0.1321  0.2500  0.8602  1.0
  S  S4  2  0.1922  0.7500  0.5515  1.0
  S  S5  2  0.4783  0.7500  0.1497  1.0
]