data_[Sr24Be8P24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Be  1.5700  1.0500  0.5900
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [18.2954]
_cell_length_b [6.2633]
_cell_length_c [12.2993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sr3BeP3]
_chemical_formula_sum '[Sr24 Be8 P24]'
_cell_volume [1409.3700]
_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  16  0.1720  0.2005  0.6298  1
  Sr  Sr1  8  0.0000  0.1877  0.3530  1
  Be  Be2  8  0.0801  0.0000  0.0000  1
  P  P3  16  0.1568  0.1924  0.8870  1
  P  P4  8  0.0000  0.1963  0.0979  1
]