# generated using pymatgen
data_CaPr(CuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43936700
_cell_length_b   5.46040600
_cell_length_c   7.64087300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr(CuO3)2
_chemical_formula_sum   'Ca2 Pr2 Cu4 O12'
_cell_volume   226.94273194
_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  0.49071500  0.20541200  0.00000000  1.0
  Ca  Ca1  1  0.99071500  0.79458800  0.50000000  1.0
  Pr  Pr2  1  0.00796200  0.71253800  0.00000000  1.0
  Pr  Pr3  1  0.50796200  0.28746200  0.50000000  1.0
  Cu  Cu4  1  0.00031400  0.24914600  0.75027400  1.0
  Cu  Cu5  1  0.00031400  0.24914600  0.24972600  1.0
  Cu  Cu6  1  0.50031400  0.75085400  0.25027400  1.0
  Cu  Cu7  1  0.50031400  0.75085400  0.74972600  1.0
  O  O8  1  0.07083600  0.23281800  0.50000000  1.0
  O  O9  1  0.22021600  0.96989200  0.78720300  1.0
  O  O10  1  0.22021600  0.96989200  0.21279700  1.0
  O  O11  1  0.28379800  0.46661000  0.20874100  1.0
  O  O12  1  0.28379800  0.46661000  0.79125900  1.0
  O  O13  1  0.42186800  0.73621500  0.50000000  1.0
  O  O14  1  0.57083600  0.76718200  0.00000000  1.0
  O  O15  1  0.72021600  0.03010800  0.71279700  1.0
  O  O16  1  0.72021600  0.03010800  0.28720300  1.0
  O  O17  1  0.78379800  0.53339000  0.70874100  1.0
  O  O18  1  0.78379800  0.53339000  0.29125900  1.0
  O  O19  1  0.92186800  0.26378500  0.00000000  1.0