data_[Be2Cu2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.6446]
_cell_length_b [3.5384]
_cell_length_c [5.5149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeCuSi]
_chemical_formula_sum '[Be2 Cu2 Si2]'
_cell_volume [71.0731]
_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  0.1238  0.0000  0.0850  1
  Be  Be1  1  0.6501  0.0000  0.3668  1
  Cu  Cu2  1  0.1495  0.5000  0.3567  1
  Si  Si3  1  0.1738  0.0000  0.6774  1
  Si  Si4  1  0.6285  0.5000  0.0782  1
  Cu  Cu5  1  0.6715  0.5000  0.6623  1
]