data_[K4Mn2Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.6773]
_cell_length_b [9.0203]
_cell_length_c [7.1207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [K2MnSnS4]
_chemical_formula_sum '[K4 Mn2 Sn2 S8]'
_cell_volume [456.4686]
_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  2  0.0000  0.2120  0.0000  1.0
  K  K1  2  0.0000  0.9435  0.5000  1.0
  Mn  Mn2  2  0.0000  0.4852  0.5000  1.0
  Sn  Sn3  2  0.0000  0.7409  0.0000  1.0
  S  S4  4  0.1645  0.6122  0.4039  1.0
  S  S5  4  0.2455  0.8903  0.0802  1.0
]