data_[Ca2Cd14Cu10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.3327]
_cell_length_b [9.4417]
_cell_length_c [9.5662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaCd7Cu5]
_chemical_formula_sum '[Ca2 Cd14 Cu10]'
_cell_volume [481.6539]
_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  2  0.0000  0.0000  0.0137  1
  Cd  Cd1  4  0.0000  0.2956  0.5030  1
  Cd  Cd2  4  0.0000  0.3423  0.9918  1
  Cd  Cd3  2  0.0000  0.0000  0.3428  1
  Cd  Cd4  2  0.0000  0.0000  0.6629  1
  Cd  Cd5  2  0.0000  0.5000  0.2771  1
  Cu  Cu6  8  0.2499  0.2591  0.7474  1
  Cu  Cu7  2  0.0000  0.5000  0.7246  1
]