data_[K2Ho2Cu2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1054]
_cell_length_b [4.0396]
_cell_length_c [9.6267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHoCuSe3]
_chemical_formula_sum '[K2 Ho2 Cu2 Se6]'
_cell_volume [334.5753]
_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  0.2047  0.2500  0.2346  1.0
  Ho  Ho1  2  0.3249  0.7500  0.8538  1.0
  Cu  Cu2  2  0.0841  0.2500  0.5988  1.0
  Se  Se3  2  0.1086  0.2500  0.8589  1.0
  Se  Se4  2  0.1977  0.7500  0.5325  1.0
  Se  Se5  2  0.4616  0.7500  0.1654  1.0
]