# generated using pymatgen
data_Ca4(CuO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70224939
_cell_length_b   8.70224939
_cell_length_c   6.36021681
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.59671920
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4(CuO2)5
_chemical_formula_sum   'Ca8 Cu10 O20'
_cell_volume   466.10772833
_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  0.81356138  0.68643862  0.75000000  1.0
  Ca  Ca1  1  0.18643862  0.31356138  0.25000000  1.0
  Ca  Ca2  1  0.68643862  0.81356138  0.25000000  1.0
  Ca  Ca3  1  0.31356138  0.18643862  0.75000000  1.0
  Ca  Ca4  1  0.56072151  0.93927849  0.75000000  1.0
  Ca  Ca5  1  0.43927849  0.06072151  0.25000000  1.0
  Ca  Ca6  1  0.93927849  0.56072151  0.25000000  1.0
  Ca  Ca7  1  0.06072151  0.43927849  0.75000000  1.0
  Cu  Cu8  1  0.00000000  -0.00000000  -0.00000000  1.0
  Cu  Cu9  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu10  1  0.60173071  0.39826929  0.97643867  1.0
  Cu  Cu11  1  0.39826929  0.60173071  0.02356133  1.0
  Cu  Cu12  1  0.10173071  0.89826929  0.52356133  1.0
  Cu  Cu13  1  0.89826929  0.10173071  0.47643867  1.0
  Cu  Cu14  1  0.70053413  0.29946587  0.45919028  1.0
  Cu  Cu15  1  0.29946587  0.70053413  0.54080972  1.0
  Cu  Cu16  1  0.20053413  0.79946587  0.04080972  1.0
  Cu  Cu17  1  0.79946587  0.20053413  0.95919028  1.0
  O  O18  1  0.38413105  0.38413105  -0.00000000  1.0
  O  O19  1  0.61586895  0.61586895  -0.00000000  1.0
  O  O20  1  0.11586895  0.11586895  0.50000000  1.0
  O  O21  1  0.88413105  0.88413105  0.50000000  1.0
  O  O22  1  0.57082998  0.17758143  0.93820893  1.0
  O  O23  1  0.42917002  0.82241857  0.06179107  1.0
  O  O24  1  0.32241857  0.92917002  0.56179107  1.0
  O  O25  1  0.17758143  0.57082998  0.06179107  1.0
  O  O26  1  0.67758143  0.07082998  0.43820893  1.0
  O  O27  1  0.82241857  0.42917002  0.93820893  1.0
  O  O28  1  0.92917002  0.32241857  0.43820893  1.0
  O  O29  1  0.07082998  0.67758143  0.56179107  1.0
  O  O30  1  0.71340022  0.52577509  0.45929225  1.0
  O  O31  1  0.28659978  0.47422491  0.54070775  1.0
  O  O32  1  0.97422491  0.78659978  0.04070775  1.0
  O  O33  1  0.52577509  0.71340022  0.54070775  1.0
  O  O34  1  0.02577509  0.21340022  0.95929225  1.0
  O  O35  1  0.47422491  0.28659978  0.45929225  1.0
  O  O36  1  0.78659978  0.97422491  0.95929225  1.0
  O  O37  1  0.21340022  0.02577509  0.04070775  1.0