data_[Sr3B3P3O15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [6.9422]
_cell_length_b [6.9422]
_cell_length_c [6.8961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [152]
_chemical_formula_structural [SrBPO5]
_chemical_formula_sum '[Sr3 B3 P3 O15]'
_cell_volume [287.8235]
_cell_formula_units_Z [3]
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  0.6067  0.1667  1
  B  B1  3  0.0000  0.0983  0.1667  1
  P  P2  3  0.0000  0.5962  0.6667  1
  O  O3  6  0.1387  0.5527  0.5228  1
  O  O4  6  0.1488  0.8127  0.7957  1
  O  O5  3  0.0000  0.0433  0.6667  1
]