data_[Ca4Zn4Cu2Ni10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [P4/mbm]
_cell_length_a [9.2655]
_cell_length_b [9.2655]
_cell_length_c [3.5097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2Zn2CuNi5]
_chemical_formula_sum '[Ca4 Zn4 Cu2 Ni10]'
_cell_volume [301.3052]
_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
[
  Ca  Ca0  4  0.1772  0.3228  0.0000  1
  Zn  Zn1  4  0.1228  0.6228  0.0000  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  8  0.0559  0.8060  0.5000  1
  Ni  Ni4  2  0.0000  0.5000  0.5000  1
]