data_[K2Ho2Cu2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6843]
_cell_length_b [3.9354]
_cell_length_c [9.2649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHoCuS3]
_chemical_formula_sum '[K2 Ho2 Cu2 S6]'
_cell_volume [302.3752]
_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  0.1988  0.2500  0.2311  1.0
  Ho  Ho1  2  0.3299  0.7500  0.8558  1.0
  Cu  Cu2  2  0.0846  0.2500  0.6044  1.0
  S  S3  2  0.1152  0.2500  0.8587  1.0
  S  S4  2  0.1851  0.7500  0.5384  1.0
  S  S5  2  0.4589  0.7500  0.1592  1.0
]