data_[Sr6P12]
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 [P2_1/c]
_cell_length_a [6.1715]
_cell_length_b [11.9832]
_cell_length_c [7.5136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.7562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrP2]
_chemical_formula_sum '[Sr6 P12]'
_cell_volume [445.1893]
_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  4  0.2100  0.1673  0.3143  1.0
  Sr  Sr1  2  0.5000  0.0000  0.0000  1.0
  P  P2  4  0.0675  0.6010  0.7156  1.0
  P  P3  4  0.2080  0.6318  0.0650  1.0
  P  P4  4  0.3379  0.6929  0.6662  1.0
]