data_[Sr20Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.3841]
_cell_length_b [7.3102]
_cell_length_c [8.1805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr5Cu2]
_chemical_formula_sum '[Sr20 Cu8]'
_cell_volume [1090.0877]
_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
[
  Sr  Sr0  8  0.0942  0.0944  0.9155  1
  Sr  Sr1  8  0.2141  0.4187  0.3138  1
  Sr  Sr2  4  0.0000  0.4258  0.2500  1
  Cu  Cu3  8  0.1111  0.2991  0.5825  1
]