data_[Ho2Cu4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [6.4978]
_cell_length_b [3.9399]
_cell_length_c [10.6503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoCu2Se3]
_chemical_formula_sum '[Ho2 Cu4 Se6]'
_cell_volume [271.7985]
_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
[
  Ho  Ho0  2  0.3180  0.7500  0.6779  1.0
  Cu  Cu1  2  0.0586  0.7500  0.4192  1.0
  Cu  Cu2  2  0.4476  0.2500  0.9112  1.0
  Se  Se3  2  0.0973  0.2500  0.7958  1.0
  Se  Se4  2  0.2799  0.2500  0.4650  1.0
  Se  Se5  2  0.3567  0.2500  0.1294  1.0
]