# generated using pymatgen
data_BaCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27706500
_cell_length_b   7.66752926
_cell_length_c   7.68067007
_cell_angle_alpha   103.60480774
_cell_angle_beta   91.67171063
_cell_angle_gamma   95.40162692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCuP2O7
_chemical_formula_sum   'Ba2 Cu2 P4 O14'
_cell_volume   300.29117195
_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
  Ba  Ba0  1  0.19322100  0.77687600  0.92891400  1.0
  Ba  Ba1  1  0.80677900  0.22312400  0.07108600  1.0
  Cu  Cu2  1  0.81969100  0.35601900  0.59696600  1.0
  Cu  Cu3  1  0.18030900  0.64398100  0.40303400  1.0
  P  P4  1  0.71316400  0.80814100  0.60035800  1.0
  P  P5  1  0.28683600  0.19185900  0.39964200  1.0
  P  P6  1  0.68899500  0.73380900  0.21953100  1.0
  P  P7  1  0.31100500  0.26619100  0.78046900  1.0
  O  O8  1  0.90729800  0.66415600  0.58425000  1.0
  O  O9  1  0.09270200  0.33584400  0.41575000  1.0
  O  O10  1  0.78699600  0.96763300  0.75482400  1.0
  O  O11  1  0.21300400  0.03236700  0.24517600  1.0
  O  O12  1  0.43672700  0.72246100  0.60445400  1.0
  O  O13  1  0.56327300  0.27753900  0.39554600  1.0
  O  O14  1  0.72842700  0.87572600  0.41434400  1.0
  O  O15  1  0.27157300  0.12427400  0.58565600  1.0
  O  O16  1  0.57401300  0.37564200  0.78835000  1.0
  O  O17  1  0.42598700  0.62435800  0.21165000  1.0
  O  O18  1  0.29872600  0.15778900  0.92282300  1.0
  O  O19  1  0.70127400  0.84221100  0.07717700  1.0
  O  O20  1  0.09029700  0.38872100  0.79505800  1.0
  O  O21  1  0.90970300  0.61127900  0.20494200  1.0