data_[Cs1Si1Te1H1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9658]
_cell_length_b [6.2791]
_cell_length_c [6.6728]
_cell_angle_alpha [76.5983]
_cell_angle_beta [78.8192]
_cell_angle_gamma [89.7389]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsSiTeHSe]
_chemical_formula_sum '[Cs1 Si1 Te1 H1 Se1]'
_cell_volume [198.3790]
_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  1  0.3755  0.2044  0.6100  1
  Si  Si1  1  0.9279  0.8916  0.2026  1
  Te  Te2  1  0.8904  0.7147  0.5648  1
  H  H3  1  0.0992  0.7807  0.0480  1
  Se  Se4  1  0.7493  0.1911  0.0652  1
]