data_[Li2Mg1Cr1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0194]
_cell_length_b [4.7030]
_cell_length_c [6.2939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Li2MgCrH8]
_chemical_formula_sum '[Li2 Mg1 Cr1 H8]'
_cell_volume [89.3755]
_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  0.2548  1.0
  Mg  Mg1  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  0.2352  0.2049  1.0
  H  H4  2  0.5000  0.1962  0.0000  1.0
  H  H5  2  0.5000  0.2559  0.5000  1.0
]