data_[Sr8Be4]
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 [C2/m]
_cell_length_a [14.4380]
_cell_length_b [4.1955]
_cell_length_c [9.5198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Be]
_chemical_formula_sum '[Sr8 Be4]'
_cell_volume [447.6984]
_cell_formula_units_Z [4]
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  4  0.0789  0.5000  0.8742  1
  Sr  Sr1  4  0.1862  0.0000  0.5963  1
  Be  Be2  4  0.0889  0.0000  0.1371  1
]