data_[Sr4Zn2Cu12Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  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 [12.1135]
_cell_length_b [4.9966]
_cell_length_c [8.3974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2ZnCu6Ni]
_chemical_formula_sum '[Sr4 Zn2 Cu12 Ni2]'
_cell_volume [373.2094]
_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  4  0.2388  0.0000  0.7929  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  8  0.0298  0.2535  0.2803  1.0
  Cu  Cu3  4  0.2481  0.5000  0.5899  1.0
  Ni  Ni4  2  0.0000  0.5000  0.5000  1.0
]