data_[Na2Co2Ir2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5634]
_cell_length_b [3.6228]
_cell_length_c [8.4461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaCoIrS3]
_chemical_formula_sum '[Na2 Co2 Ir2 S6]'
_cell_volume [219.2264]
_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  0.2196  0.2500  0.2515  1.0
  Co  Co1  2  0.0875  0.2500  0.6045  1.0
  Ir  Ir2  2  0.3179  0.7500  0.8412  1.0
  S  S3  2  0.1180  0.2500  0.8729  1.0
  S  S4  2  0.2157  0.7500  0.5347  1.0
  S  S5  2  0.4653  0.7500  0.1407  1.0
]