data_[Sr6P18H72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [8.3772]
_cell_length_b [8.3772]
_cell_length_c [23.4436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [Sr(PH4)3]
_chemical_formula_sum '[Sr6 P18 H72]'
_cell_volume [1424.8038]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.0748  1
  P  P1  18  0.0313  0.4765  0.3370  1
  H  H2  18  0.0034  0.2958  0.3268  1
  H  H3  18  0.0299  0.2273  0.8783  1
  H  H4  18  0.0361  0.2054  0.7226  1
  H  H5  18  0.1818  0.0322  0.8979  1
]