data_[Na4Cr4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5700]
_cell_length_b [3.6877]
_cell_length_c [5.9274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCrH3]
_chemical_formula_sum '[Na4 Cr4 H12]'
_cell_volume [179.7064]
_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
[
  Na  Na0  4  0.1094  0.5000  0.3701  1.0
  Cr  Cr1  4  0.1645  0.0000  0.9546  1.0
  H  H2  4  0.0555  0.0000  0.1672  1.0
  H  H3  4  0.1291  0.5000  0.9463  1.0
  H  H4  4  0.1306  0.0000  0.6621  1.0
]