data_[Y4Cu6Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6841]
_cell_length_b [4.0631]
_cell_length_c [6.3297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Cu3Ni2]
_chemical_formula_sum '[Y4 Cu6 Ni4]'
_cell_volume [231.7435]
_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
[
  Y  Y0  4  0.1438  0.5000  0.7498  1
  Cu  Cu1  4  0.1400  0.5000  0.2234  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  4  0.1094  0.0000  0.4291  1
]