data_[Sr4Be8]
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 [11.8446]
_cell_length_b [3.8404]
_cell_length_c [5.7010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrBe2]
_chemical_formula_sum '[Sr4 Be8]'
_cell_volume [248.3750]
_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  0.0995  0.5000  0.8121  1
  Be  Be1  4  0.1330  0.0000  0.3034  1
  Be  Be2  4  0.2135  0.5000  0.4027  1
]