data_[Sr3Ni36P18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.2001]
_cell_length_b [10.2001]
_cell_length_c [8.1468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr(Ni2P)6]
_chemical_formula_sum '[Sr3 Ni36 P18]'
_cell_volume [734.0573]
_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  0.0000  1.0
  Ni  Ni1  18  0.0000  0.3693  0.5000  1.0
  Ni  Ni2  18  0.0943  0.1886  0.3693  1.0
  P  P3  18  0.0465  0.5232  0.2904  1.0
]