data_[Be4Al2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4432]
_cell_length_b [3.6354]
_cell_length_c [5.5834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Be2AlSi]
_chemical_formula_sum '[Be4 Al2 Si2]'
_cell_volume [105.7627]
_cell_formula_units_Z [2]
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
[
  Be  Be0  1  0.1390  0.5000  0.9808  1
  Be  Be1  1  0.5608  0.0000  0.5964  1
  Be  Be2  1  0.7292  0.0000  0.3056  1
  Be  Be3  1  0.9362  0.5000  0.2625  1
  Al  Al4  1  0.1158  0.0000  0.6346  1
  Al  Al5  1  0.5053  0.5000  0.8498  1
  Si  Si6  1  0.4744  0.5000  0.3387  1
  Si  Si7  1  0.8785  0.0000  0.9716  1
]