data_[Sr8Be8]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.5403]
_cell_length_b [6.9468]
_cell_length_c [6.1751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrBe]
_chemical_formula_sum '[Sr8 Be8]'
_cell_volume [409.2524]
_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  0.1741  0.1586  0.7500  1
  Be  Be1  4  0.0000  0.2810  0.2500  1
  Be  Be2  4  0.0000  0.5000  0.0000  1
]