data_[Cs2Y2Mn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  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 [6.6122]
_cell_length_b [6.4911]
_cell_length_c [9.4339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsYMnS4]
_chemical_formula_sum '[Cs2 Y2 Mn2 S8]'
_cell_volume [385.6822]
_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  0.2651  0.2500  0.0604  1
  Y  Y1  2  0.2322  0.2500  0.5478  1
  Mn  Mn2  2  0.2227  0.7500  0.3375  1
  S  S3  4  0.0082  0.5004  0.6917  1
  S  S4  2  0.4253  0.7500  0.5643  1
  S  S5  2  0.4329  0.7500  0.1985  1
]