data_[K4Mn2Sb4S12]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7414]
_cell_length_b [11.3913]
_cell_length_c [7.8563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Mn(SbS3)2]
_chemical_formula_sum '[K4 Mn2 Sb4 S12]'
_cell_volume [574.5981]
_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  0.0000  0.1752  0.0000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb2  4  0.0000  0.3320  0.5000  1.0
  S  S3  8  0.2139  0.1473  0.6870  1.0
  S  S4  4  0.2194  0.0000  0.3143  1.0
]