data_[Be4Fe2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3626]
_cell_length_b [2.4255]
_cell_length_c [3.9786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Be2FeCu]
_chemical_formula_sum '[Be4 Fe2 Cu2]'
_cell_volume [76.4379]
_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  2  0.2621  0.0000  0.6981  1
  Be  Be1  2  0.4864  0.5000  0.0542  1
  Fe  Fe2  2  0.2374  0.5000  0.1816  1
  Cu  Cu3  2  0.0141  0.5000  0.5661  1
]