data_[Cu8H4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1269]
_cell_length_b [2.8334]
_cell_length_c [6.1213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu2HSe]
_chemical_formula_sum '[Cu8 H4 Se4]'
_cell_volume [207.1227]
_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
[
  Cu  Cu0  2  0.1212  0.0000  0.8458  1
  Cu  Cu1  2  0.2045  0.5000  0.5289  1
  Cu  Cu2  2  0.3937  0.0000  0.6995  1
  Cu  Cu3  2  0.4301  0.5000  0.0674  1
  H  H4  2  0.2474  0.0000  0.6812  1
  H  H5  2  0.4722  0.5000  0.8223  1
  Se  Se6  2  0.0032  0.5000  0.3958  1
  Se  Se7  2  0.2380  0.5000  0.1362  1
]