data_[Cs3H4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1307]
_cell_length_b [5.4276]
_cell_length_c [13.1587]
_cell_angle_alpha [101.8802]
_cell_angle_beta [92.1461]
_cell_angle_gamma [90.0154]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs3(HSe)4]
_chemical_formula_sum '[Cs3 H4 Se4]'
_cell_volume [358.3234]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  2  0.3484  0.8269  0.6498  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.0410  0.2831  0.5605  1.0
  H  H3  2  0.3310  0.5741  0.1493  1.0
  Se  Se4  2  0.1580  0.6773  0.3584  1.0
  Se  Se5  2  0.3924  0.4413  0.8817  1.0
]