data_[Be51Tc3Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.1953]
_cell_length_b [7.1953]
_cell_length_c [10.6013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Be17TcNi]
_chemical_formula_sum '[Be51 Tc3 Ni3]'
_cell_volume [475.3272]
_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  0.0038  0.3103  0.9989  1
  Be  Be1  9  0.0061  0.5030  0.1560  1
  Be  Be2  9  0.0100  0.5050  0.4943  1
  Be  Be3  9  0.1719  0.8281  0.1764  1
  Be  Be4  3  0.0000  0.0000  0.1046  1
  Be  Be5  3  0.0000  0.0000  0.8981  1
  Tc  Tc6  3  0.0000  0.0000  0.6620  1
  Ni  Ni7  3  0.0000  0.0000  0.3622  1
]