data_[Ca8In4Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9220]
_cell_length_b [5.7040]
_cell_length_c [8.2339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2InCu2]
_chemical_formula_sum '[Ca8 In4 Cu8]'
_cell_volume [452.4940]
_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  8  0.1489  0.3529  0.1484  1.0
  In  In1  4  0.0000  0.1523  0.7500  1.0
  Cu  Cu2  8  0.1405  0.1447  0.4996  1.0
]