data_[Sr3Cr3Ni6H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.6425]
_cell_length_b [4.6425]
_cell_length_c [16.9848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [SrCr(NiH4)2]
_chemical_formula_sum '[Sr3 Cr3 Ni6 H24]'
_cell_volume [317.0195]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  -0.0000  0.0000  0.5000  1.0
  Cr  Cr1  3  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  6  0.0000  0.0000  0.3011  1.0
  H  H3  18  0.0036  0.7044  0.6221  1.0
  H  H4  6  0.0000  0.0000  0.2066  1.0
]