data_[Ho4Cu2Se8]
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 [6.9728]
_cell_length_b [5.9141]
_cell_length_c [8.0013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho2CuSe4]
_chemical_formula_sum '[Ho4 Cu2 Se8]'
_cell_volume [316.1780]
_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  0.2264  0.7500  0.9295  1.0
  Ho  Ho1  2  0.2429  0.7500  0.4360  1.0
  Cu  Cu2  2  0.2365  0.2500  0.1831  1.0
  Se  Se3  4  0.4843  0.0080  0.7469  1.0
  Se  Se4  2  0.0667  0.2500  0.8823  1.0
  Se  Se5  2  0.0701  0.2500  0.4016  1.0
]