# generated using pymatgen
data_Ba(CuP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36484700
_cell_length_b   12.23684781
_cell_length_c   11.42773789
_cell_angle_alpha   87.05056058
_cell_angle_beta   76.42433824
_cell_angle_gamma   77.33743720
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(CuP)2
_chemical_formula_sum   'Ba4 Cu8 P8'
_cell_volume   711.51998670
_cell_formula_units_Z   4
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  0.37500000  0.25000000  0.25000000  1.0
  Ba  Ba1  1  0.37500000  0.75000000  0.25000000  1.0
  Ba  Ba2  1  0.37500000  0.25000000  0.75000000  1.0
  Ba  Ba3  1  0.87500000  0.75000000  0.75000000  1.0
  Cu  Cu4  1  0.02618900  0.27530500  0.04951900  1.0
  Cu  Cu5  1  0.92429200  0.72469500  0.04951900  1.0
  Cu  Cu6  1  0.69850600  0.27530500  0.95048100  1.0
  Cu  Cu7  1  0.72381100  0.22469500  0.45048100  1.0
  Cu  Cu8  1  0.35101300  0.72469500  0.95048100  1.0
  Cu  Cu9  1  0.82570800  0.77530500  0.45048100  1.0
  Cu  Cu10  1  0.05149400  0.22469500  0.54951900  1.0
  Cu  Cu11  1  0.39898700  0.77530500  0.54951900  1.0
  P  P12  1  0.77469800  0.56273300  0.08691500  1.0
  P  P13  1  0.13838700  0.43726700  0.08691500  1.0
  P  P14  1  0.66256900  0.56273300  0.91308500  1.0
  P  P15  1  0.97530200  0.93726700  0.41308500  1.0
  P  P16  1  0.42434500  0.43726700  0.91308500  1.0
  P  P17  1  0.61161300  0.06273300  0.41308500  1.0
  P  P18  1  0.08743100  0.93726700  0.58691500  1.0
  P  P19  1  0.32565500  0.06273300  0.58691500  1.0