data_Y3NiP8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   22.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3NiP8
_chemical_formula_sum   'Y6 Ni2 P16'
_cell_volume   453.94
_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
  Y  Y18  1  0.0  0.76  0.41  1.0
  Y  Y19  1  0.39  0.38  0.87  1.0
  Y  Y20  1  0.39  0.38  0.49  1.0
  Y  Y21  1  0.0  0.76  0.04  1.0
  Y  Y22  1  0.0  0.76  0.18  1.0
  Y  Y23  1  0.39  0.38  0.73  1.0
  Ni  Ni0  1  0.0  0.76  0.73  1.0
  Ni  Ni1  1  0.39  0.38  0.18  1.0
  P  P2  1  0.75  0.49  0.65  1.0
  P  P3  1  0.0  0.31  0.65  1.0
  P  P4  1  0.25  0.49  0.65  1.0
  P  P5  1  0.65  0.66  0.19  1.0
  P  P6  1  0.39  0.83  0.19  1.0
  P  P7  1  0.14  0.66  0.19  1.0
  P  P8  1  0.39  0.83  0.26  1.0
  P  P9  1  0.65  0.66  0.26  1.0
  P  P10  1  0.14  0.66  0.26  1.0
  P  P11  1  0.0  0.31  0.71  1.0
  P  P12  1  0.75  0.49  0.71  1.0
  P  P13  1  0.25  0.49  0.71  1.0
  P  P14  1  0.0  0.0  0.18  1.0
  P  P15  1  0.0  0.0  0.73  1.0
  P  P16  1  0.0  0.0  0.45  1.0
  P  P17  1  0.0  0.0  0.0  1.0

data_Y3NiP8
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   22.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3NiP8
_chemical_formula_sum   'Y6 Ni2 P16'
_cell_volume   453.94
_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
  Y  Y0  1  0.0  0.76  0.04  1.0
  Y  Y1  1  0.0  0.76  0.18  1.0
  Y  Y2  1  0.0  0.76  0.41  1.0
  Y  Y3  1  0.39  0.38  0.49  1.0
  Y  Y4  1  0.39  0.38  0.73  1.0
  Y  Y5  1  0.39  0.38  0.87  1.0
  Ni  Ni6  1  0.0  0.76  0.73  1.0
  Ni  Ni7  1  0.39  0.38  0.18  1.0
  P  P8  1  0.0  0.0  0.0  1.0
  P  P9  1  0.0  0.0  0.18  1.0
  P  P10  1  0.0  0.0  0.45  1.0
  P  P11  1  0.0  0.0  0.73  1.0
  P  P12  1  0.0  0.31  0.65  1.0
  P  P13  1  0.0  0.31  0.71  1.0
  P  P14  1  0.14  0.66  0.19  1.0
  P  P15  1  0.14  0.66  0.26  1.0
  P  P16  1  0.25  0.49  0.65  1.0
  P  P17  1  0.25  0.49  0.71  1.0
  P  P18  1  0.39  0.83  0.19  1.0
  P  P19  1  0.39  0.83  0.26  1.0
  P  P20  1  0.65  0.66  0.19  1.0
  P  P21  1  0.65  0.66  0.26  1.0
  P  P22  1  0.75  0.49  0.65  1.0
  P  P23  1  0.75  0.49  0.71  1.0

Y Y Y Y Y Y Ni Ni P P P P P P P P P P P P P P P P