data_[K2Mn2Ru2S6]
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
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1907]
_cell_length_b [3.4154]
_cell_length_c [9.7123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMnRuS3]
_chemical_formula_sum '[K2 Mn2 Ru2 S6]'
_cell_volume [246.6534]
_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  0.0101  0.7500  0.2396  1.0
  Mn  Mn1  2  0.4505  0.7500  0.1261  1.0
  Ru  Ru2  2  0.4864  0.2500  0.3736  1.0
  S  S3  2  0.2587  0.2500  0.1262  1.0
  S  S4  2  0.3153  0.2500  0.5129  1.0
  S  S5  2  0.3460  0.7500  0.8613  1.0
]