data_[Li2Sc1Cr1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.1201]
_cell_length_b [4.6822]
_cell_length_c [6.0965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Li2ScCrH8]
_chemical_formula_sum '[Li2 Sc1 Cr1 H8]'
_cell_volume [89.0651]
_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
[
  Li  Li0  2  0.5000  0.5000  0.2339  1.0
  Sc  Sc1  1  0.0000  0.0000  0.5000  1.0
  Cr  Cr2  1  0.0000  0.0000  0.0000  1.0
  H  H3  4  0.0000  0.2383  0.2144  1.0
  H  H4  2  0.5000  0.1916  0.0000  1.0
  H  H5  2  0.5000  0.2629  0.5000  1.0
]