data_[Ho4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0343]
_cell_length_b [4.0230]
_cell_length_c [8.1367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho2Se3]
_chemical_formula_sum '[Ho4 Se6]'
_cell_volume [262.0557]
_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  0.1154  0.2500  0.2692  1.0
  Ho  Ho1  2  0.3561  0.7500  0.8178  1.0
  Se  Se2  2  0.1206  0.2500  0.8887  1.0
  Se  Se3  2  0.1794  0.7500  0.5171  1.0
  Se  Se4  2  0.3909  0.7500  0.1792  1.0
]