# generated using pymatgen
data_Ca3(CuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56494660
_cell_length_b   6.56494660
_cell_length_c   6.77976620
_cell_angle_alpha   74.85717341
_cell_angle_beta   74.85717341
_cell_angle_gamma   32.78608829
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3(CuO3)2
_chemical_formula_sum   'Ca3 Cu2 O6'
_cell_volume   152.24758229
_cell_formula_units_Z   1
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  0.84309200  0.84309200  0.81975100  1.0
  Ca  Ca1  1  0.84172200  0.84172200  0.33953800  1.0
  Ca  Ca2  1  0.14840900  0.14840900  0.17285900  1.0
  Cu  Cu3  1  0.50705500  0.50705500  0.98409200  1.0
  Cu  Cu4  1  0.51288500  0.51288500  0.50615800  1.0
  O  O5  1  0.98677400  0.98677400  0.02540900  1.0
  O  O6  1  0.99117800  0.99117800  0.48649900  1.0
  O  O7  1  0.35711200  0.35711200  0.58355400  1.0
  O  O8  1  0.34624500  0.34624500  0.06672400  1.0
  O  O9  1  0.65546900  0.65546900  0.95438000  1.0
  O  O10  1  0.66090600  0.66090600  0.38561300  1.0