data_[Ca10Cu2O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7661]
_cell_length_b [10.2249]
_cell_length_c [5.7561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5CuO6]
_chemical_formula_sum '[Ca10 Cu2 O12]'
_cell_volume [323.8327]
_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  4  0.0000  0.1639  0.5000  1
  Ca  Ca1  4  0.0000  0.3301  0.0000  1
  Ca  Ca2  2  0.0000  0.5000  0.5000  1
  Cu  Cu3  2  0.0000  0.0000  0.0000  1
  O  O4  8  0.2402  0.3325  0.7407  1
  O  O5  4  0.2271  0.0000  0.7763  1
]