data_[Ba2Sr4Al4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6625]
_cell_length_b [4.0383]
_cell_length_c [8.6038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSr2(AlP2)2]
_chemical_formula_sum '[Ba2 Sr4 Al4 P8]'
_cell_volume [503.0470]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1.0
  Sr  Sr1  4  0.1145  0.0000  0.6446  1.0
  Al  Al2  4  0.1713  0.5000  0.3810  1.0
  P  P3  4  0.0177  0.5000  0.3104  1.0
  P  P4  4  0.2250  0.0000  0.2920  1.0
]