data_[Be51Cr3Cu3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.1905]
_cell_length_b [7.1905]
_cell_length_c [10.7767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Be17CrCu]
_chemical_formula_sum '[Be51 Cr3 Cu3]'
_cell_volume [482.5432]
_cell_formula_units_Z [3]
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  18  0.0027  0.3126  0.9979  1
  Be  Be1  9  0.0021  0.5011  0.1579  1
  Be  Be2  9  0.0107  0.5054  0.4920  1
  Be  Be3  9  0.1713  0.3427  0.1737  1
  Be  Be4  3  0.0000  0.0000  0.0985  1
  Be  Be5  3  0.0000  0.0000  0.8966  1
  Cr  Cr6  3  0.0000  0.0000  0.6689  1
  Cu  Cu7  3  0.0000  0.0000  0.3777  1
]