data_[Sc2H2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0113]
_cell_length_b [3.9786]
_cell_length_c [7.0352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ScHSe2]
_chemical_formula_sum '[Sc2 H2 Se4]'
_cell_volume [186.4649]
_cell_formula_units_Z [2]
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
[
  Sc  Sc0  2  0.2222  0.2500  0.0093  1.0
  H  H1  2  0.2744  0.7500  0.5768  1.0
  Se  Se2  2  0.1519  0.7500  0.2307  1.0
  Se  Se3  2  0.3590  0.7500  0.8029  1.0
]