data_[K8La6Mn2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6966]
_cell_length_b [8.2357]
_cell_length_c [8.7952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K4La3MnS8]
_chemical_formula_sum '[K8 La6 Mn2 S16]'
_cell_volume [896.8370]
_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
[
  K  K0  4  0.2500  0.2500  0.0000  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  K  K2  2  0.0000  0.5000  0.0000  1.0
  La  La3  4  0.2500  0.2500  0.5000  1.0
  La  La4  2  0.0000  0.5000  0.5000  1.0
  Mn  Mn5  2  0.0000  0.0000  0.5000  1.0
  S  S6  8  0.0120  0.2130  0.3165  1.0
  S  S7  4  0.2330  0.5000  0.7115  1.0
  S  S8  4  0.2448  0.5000  0.2722  1.0
]