data_[Be4Cu2Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1897]
_cell_length_b [2.4990]
_cell_length_c [3.8411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Be2CuNi]
_chemical_formula_sum '[Be4 Cu2 Ni2]'
_cell_volume [74.2097]
_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  0.0071  0.0000  0.9541  1.0
  Be  Be1  2  0.2409  0.5000  0.2922  1.0
  Cu  Cu2  2  0.4885  0.0000  0.4455  1.0
  Ni  Ni3  2  0.2635  0.0000  0.8083  1.0
]