data_[Sr10P6S1O24]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.7686]
_cell_length_b [9.7686]
_cell_length_c [7.1934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Sr10P6SO24]
_chemical_formula_sum '[Sr10 P6 S1 O24]'
_cell_volume [594.4622]
_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
[
  Sr  Sr0  6  0.0148  0.2562  0.2579  1
  Sr  Sr1  2  0.3333  0.6667  0.0209  1
  Sr  Sr2  2  0.3333  0.6667  0.5195  1
  P  P3  6  0.0288  0.3982  0.7528  1
  S  S4  1  0.0000  0.0000  0.5000  1
  O  O5  6  0.0647  0.3088  0.9068  1
  O  O6  6  0.1004  0.3803  0.5683  1
  O  O7  6  0.1122  0.5786  0.7947  1
  O  O8  6  0.1526  0.6725  0.2620  1
]