data_[Ca9Cu24Ag3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1709]
_cell_length_b [5.1709]
_cell_length_c [25.3768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca3Cu8Ag]
_chemical_formula_sum '[Ca9 Cu24 Ag3]'
_cell_volume [587.6295]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3768  1.0
  Ca  Ca1  3  0.0000  0.0000  0.5065  1.0
  Ca  Ca2  3  0.0000  0.0000  0.9919  1.0
  Cu  Cu3  9  0.0015  0.5008  0.4391  1.0
  Cu  Cu4  9  0.0044  0.5022  0.9368  1.0
  Cu  Cu5  3  0.0000  0.0000  0.1881  1.0
  Cu  Cu6  3  0.0000  0.0000  0.6875  1.0
  Ag  Ag7  3  0.0000  0.0000  0.8715  1.0
]