data_[V4Cu2Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.4680]
_cell_length_b [7.3778]
_cell_length_c [11.4428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [V2CuNi6]
_chemical_formula_sum '[V4 Cu2 Ni12]'
_cell_volume [208.3545]
_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
[
  V  V0  4  0.0000  0.5000  0.1588  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  8  0.0000  0.1707  0.1743  1
  Ni  Ni3  4  0.0000  0.1824  0.5000  1
]