data_[K2Ir2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2401]
_cell_length_b [5.4537]
_cell_length_c [6.3657]
_cell_angle_alpha [66.3742]
_cell_angle_beta [79.2787]
_cell_angle_gamma [89.8624]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KIrS]
_chemical_formula_sum '[K2 Ir2 S2]'
_cell_volume [132.0829]
_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  1  0.1346  0.7761  0.9723  1
  K  K1  1  0.6327  0.2538  0.9506  1
  Ir  Ir2  1  0.5003  0.3181  0.4444  1
  Ir  Ir3  1  0.7247  0.8059  0.4725  1
  S  S4  1  0.0167  0.2011  0.3633  1
  S  S5  1  0.2103  0.6131  0.5540  1
]