data_[K6Ti9Mn3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.9606]
_cell_length_b [6.9606]
_cell_length_c [23.9164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [K2Ti3MnS8]
_chemical_formula_sum '[K6 Ti9 Mn3 S24]'
_cell_volume [1003.4965]
_cell_formula_units_Z [3]
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
[
  K  K0  3  0.0000  0.0000  0.5119  1.0
  K  K1  3  0.0000  0.0000  0.8577  1.0
  Ti  Ti2  9  0.0064  0.5032  0.0113  1.0
  Mn  Mn3  3  0.0000  0.0000  0.0130  1.0
  S  S4  9  0.0008  0.5004  0.7370  1.0
  S  S5  9  0.1668  0.3336  0.6203  1.0
  S  S6  3  0.0000  0.0000  0.2848  1.0
  S  S7  3  0.0000  0.0000  0.7340  1.0
]