# generated using pymatgen
data_Ba4CuNi3P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20244541
_cell_length_b   6.18016833
_cell_length_c   7.48701977
_cell_angle_alpha   89.47381741
_cell_angle_beta   89.57336101
_cell_angle_gamma   105.49997543
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4CuNi3P4
_chemical_formula_sum   'Ba4 Cu1 Ni3 P4'
_cell_volume   276.52956110
_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
  Ba  Ba0  1  0.18681405  0.81234738  0.50411019  1.0
  Ba  Ba1  1  0.68731195  0.31430216  0.99783994  1.0
  Ba  Ba2  1  0.81365651  0.18824278  0.49524627  1.0
  Ba  Ba3  1  0.31544731  0.68945623  0.00638795  1.0
  Cu  Cu4  1  0.87750258  0.87773408  0.87703017  1.0
  Ni  Ni5  1  0.38181348  0.38207346  0.61558687  1.0
  Ni  Ni6  1  0.61412743  0.61415776  0.38022472  1.0
  Ni  Ni7  1  0.12295572  0.12205848  0.12321552  1.0
  P  P8  1  0.17336321  0.18488463  0.82789792  1.0
  P  P9  1  0.66474259  0.67249908  0.66708236  1.0
  P  P10  1  0.83303728  0.82032355  0.17778236  1.0
  P  P11  1  0.32922989  0.32191743  0.32759672  1.0