data_[Sr8Cu8P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.4701]
_cell_length_b [21.8275]
_cell_length_c [5.3527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [SrCuP2]
_chemical_formula_sum '[Sr8 Cu8 P16]'
_cell_volume [639.1053]
_cell_formula_units_Z [8]
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  8  0.0000  0.1170  0.9900  1.0
  Cu  Cu1  8  0.2500  0.2500  0.2404  1.0
  P  P2  8  0.0000  0.1862  0.4900  1.0
  P  P3  8  0.2016  0.0000  0.2791  1.0
]