data_[Ca8Cu4Ag4Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.2171]
_cell_length_b [4.7311]
_cell_length_c [15.6766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ca2CuAgSb2]
_chemical_formula_sum '[Ca8 Cu4 Ag4 Sb8]'
_cell_volume [600.5588]
_cell_formula_units_Z [4]
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  1  0.1819  0.5000  0.0593  1
  Ca  Ca1  1  0.1867  0.0000  0.5628  1
  Ca  Ca2  1  0.4280  0.5000  0.8076  1
  Ca  Ca3  1  0.4394  0.0000  0.3186  1
  Ca  Ca4  1  0.6857  0.5000  0.5599  1
  Ca  Ca5  1  0.6943  0.0000  0.0607  1
  Ca  Ca6  1  0.9402  0.5000  0.3187  1
  Ca  Ca7  1  0.9434  0.0000  0.8121  1
  Cu  Cu8  1  0.0022  0.0000  0.9979  1
  Cu  Cu9  1  0.0028  0.5000  0.5049  1
  Cu  Cu10  1  0.2489  0.0000  0.7477  1
  Cu  Cu11  1  0.4990  0.0000  0.5046  1
  Ag  Ag12  1  0.2497  0.5000  0.2499  1
  Ag  Ag13  1  0.4991  0.5000  0.9975  1
  Ag  Ag14  1  0.7489  0.5000  0.7490  1
  Ag  Ag15  1  0.7512  0.0000  0.2508  1
  Sb  Sb16  1  0.0622  0.0000  0.1829  1
  Sb  Sb17  1  0.0675  0.5000  0.6849  1
  Sb  Sb18  1  0.3035  0.0000  0.9320  1
  Sb  Sb19  1  0.3133  0.5000  0.4432  1
  Sb  Sb20  1  0.5526  0.0000  0.6843  1
  Sb  Sb21  1  0.5628  0.5000  0.1879  1
  Sb  Sb22  1  0.8155  0.0000  0.4442  1
  Sb  Sb23  1  0.8213  0.5000  0.9385  1
]