data_[Zr4Cu2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4698]
_cell_length_b [4.2101]
_cell_length_c [6.5858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr2CuNi]
_chemical_formula_sum '[Zr4 Cu2 Ni2]'
_cell_volume [138.8856]
_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
[
  Zr  Zr0  2  0.2198  0.7500  0.4164  1
  Zr  Zr1  2  0.3186  0.2500  0.0825  1
  Cu  Cu2  2  0.1218  0.7500  0.7895  1
  Ni  Ni3  2  0.3396  0.2500  0.6982  1
]