data_[Li4H4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [6.4427]
_cell_length_b [4.1662]
_cell_length_c [8.3363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [LiHSe]
_chemical_formula_sum '[Li4 H4 Se4]'
_cell_volume [223.7600]
_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
[
  Li  Li0  4  0.2501  0.4998  0.7512  1.0
  H  H1  2  0.0000  0.0025  0.5632  1.0
  H  H2  2  0.5000  0.1195  0.5002  1.0
  Se  Se3  2  0.0000  0.0005  0.2412  1.0
  Se  Se4  2  0.5000  0.4758  0.5004  1.0
]