# generated using pymatgen
data_Ca(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16474546
_cell_length_b   5.16474546
_cell_length_c   9.51771800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   144.65243010
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(CuO2)2
_chemical_formula_sum   'Ca2 Cu4 O8'
_cell_volume   146.87921233
_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  1  0.60551300  0.39448700  0.75000000  1.0
  Ca  Ca1  1  0.39448700  0.60551300  0.25000000  1.0
  Cu  Cu2  1  0.13682700  0.86317300  0.06927400  1.0
  Cu  Cu3  1  0.86317300  0.13682700  0.93072600  1.0
  Cu  Cu4  1  0.13682700  0.86317300  0.43072600  1.0
  Cu  Cu5  1  0.86317300  0.13682700  0.56927400  1.0
  O  O6  1  0.77258900  0.22741100  0.39441100  1.0
  O  O7  1  0.22741100  0.77258900  0.60558900  1.0
  O  O8  1  0.22741100  0.77258900  0.89441100  1.0
  O  O9  1  0.77258900  0.22741100  0.10558900  1.0
  O  O10  1  0.06130100  0.93869900  0.25000000  1.0
  O  O11  1  0.93869900  0.06130100  0.75000000  1.0
  O  O12  1  0.50000000  0.50000000  0.00000000  1.0
  O  O13  1  0.50000000  0.50000000  0.50000000  1.0