data_[Na4Mn2Ru2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [I-4]
_cell_length_a [6.4011]
_cell_length_b [6.4011]
_cell_length_c [8.5953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Na2MnRuS4]
_chemical_formula_sum '[Na4 Mn2 Ru2 S8]'
_cell_volume [352.1888]
_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
[
  Na  Na0  2  0.0000  0.0000  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.2500  1
  Mn  Mn2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  2  0.0000  0.5000  0.7500  1
  S  S4  8  0.1759  0.7493  0.8805  1
]