# generated using pymatgen
data_Ba(CuP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43844124
_cell_length_b   5.79554079
_cell_length_c   9.84765134
_cell_angle_alpha   82.55597875
_cell_angle_beta   73.97070566
_cell_angle_gamma   62.01815216
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(CuP2)2
_chemical_formula_sum   'Ba2 Cu4 P8'
_cell_volume   263.44322439
_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  0.12500000  0.75000000  0.75000000  1.0
  Ba  Ba1  1  0.87500000  0.25000000  0.25000000  1.0
  Cu  Cu2  1  0.25301154  0.25000000  0.49397492  1.0
  Cu  Cu3  1  0.74698846  0.75000000  0.50602508  1.0
  Cu  Cu4  1  0.49698846  0.25000000  0.00602508  1.0
  Cu  Cu5  1  0.50301154  0.75000000  0.99397492  1.0
  P  P6  1  0.82810128  0.36946100  0.85843671  1.0
  P  P7  1  0.31346102  0.13053900  0.85843671  1.0
  P  P8  1  0.44400202  0.86946100  0.35843671  1.0
  P  P9  1  0.55599798  0.13053900  0.64156329  1.0
  P  P10  1  0.19756228  0.63053900  0.35843671  1.0
  P  P11  1  0.68653898  0.86946100  0.14156329  1.0
  P  P12  1  0.80243772  0.36946100  0.64156329  1.0
  P  P13  1  0.17189872  0.63053900  0.14156329  1.0