data_[Sr12Cu2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.4277]
_cell_length_b [7.4277]
_cell_length_c [14.2513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [Sr6CuNi]
_chemical_formula_sum '[Sr12 Cu2 Ni2]'
_cell_volume [680.9197]
_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
[
  Sr  Sr0  12  0.0020  0.3250  0.1222  1
  Cu  Cu1  2  0.3333  0.6667  0.2500  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
]