data_[Sr6P6]
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
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.1004]
_cell_length_b [8.1004]
_cell_length_c [6.0505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [SrP]
_chemical_formula_sum '[Sr6 P6]'
_cell_volume [343.8227]
_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  3  0.0000  0.3591  0.5000  1.0
  Sr  Sr1  3  0.0000  0.6943  0.0000  1.0
  P  P2  4  0.3333  0.6667  0.8081  1.0
  P  P3  2  0.0000  0.0000  0.3131  1.0
]