data_[Ho8Np4Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Np  1.3600  1.7500  1.0000
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9489]
_cell_length_b [18.3656]
_cell_length_c [11.7014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho2NpCuSe5]
_chemical_formula_sum '[Ho8 Np4 Cu4 Se20]'
_cell_volume [848.6298]
_cell_formula_units_Z [4]
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  4  0.0000  0.0968  0.6839  1
  Ho  Ho1  4  0.0000  0.1154  0.3071  1
  Np  Np2  4  0.0000  0.1970  0.0095  1
  Cu  Cu3  4  0.0000  0.4330  0.4536  1
  Se  Se4  4  0.0000  0.0463  0.0644  1
  Se  Se5  4  0.0000  0.2971  0.6869  1
  Se  Se6  4  0.0000  0.3242  0.3336  1
  Se  Se7  4  0.0000  0.3597  0.0037  1
  Se  Se8  4  0.0000  0.4965  0.7814  1
]