data_YNi3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73
_cell_length_b   3.77
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNi3P
_chemical_formula_sum   'Y4 Ni12 P4'
_cell_volume   281.53
_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
  Y  Y16  1  0.27  0.94  0.81  1.0
  Y  Y17  1  0.32  0.83  0.64  1.0
  Y  Y18  1  0.46  0.83  0.86  1.0
  Y  Y19  1  0.4  0.94  0.03  1.0
  Ni  Ni0  1  0.33  0.94  0.86  1.0
  Ni  Ni1  1  0.26  0.83  0.02  1.0
  Ni  Ni2  1  0.4  0.83  0.81  1.0
  Ni  Ni3  1  0.47  0.94  0.65  1.0
  Ni  Ni4  1  0.63  0.94  0.55  1.0
  Ni  Ni5  1  0.97  0.83  0.71  1.0
  Ni  Ni6  1  0.1  0.83  0.13  1.0
  Ni  Ni7  1  0.76  0.94  0.96  1.0
  Ni  Ni8  1  0.84  0.94  0.19  1.0
  Ni  Ni9  1  0.75  0.83  0.03  1.0
  Ni  Ni10  1  0.89  0.83  0.48  1.0
  Ni  Ni11  1  0.98  0.94  0.64  1.0
  P  P12  1  0.75  0.94  0.39  1.0
  P  P13  1  0.84  0.83  0.23  1.0
  P  P14  1  0.98  0.83  0.28  1.0
  P  P15  1  0.88  0.94  0.44  1.0

data_YNi3P
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.77
_cell_length_b   7.73
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YNi3P
_chemical_formula_sum   'Y4 Ni12 P4'
_cell_volume   281.53
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.06  0.4  0.97  1.0
  Y  Y1  2  0.06  0.54  0.19  1.0
  Ni  Ni2  2  0.06  0.11  0.81  1.0
  Ni  Ni3  2  0.06  0.47  0.02  1.0
  Ni  Ni4  2  0.06  0.6  0.81  1.0
  Ni  Ni5  2  0.06  0.76  0.71  1.0
  Ni  Ni6  2  0.06  0.9  0.13  1.0
  Ni  Ni7  2  0.06  0.98  0.36  1.0
  P  P8  2  0.06  0.02  0.61  1.0
  P  P9  2  0.06  0.88  0.56  1.0

Y Y Y Y Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni P P P P
Y Y Y Y Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni P P P P 0 4 o o o 1 7 o o o 2 6 o o o 3 5 o o o 4 6 o o o 5 10 o o o 7 8 o o o 8 16 o o o 9 15 o o o 10 18 - o o 11 13 o o + 12 17 o o o 14 19 o o o 16 19 o o o 17 18 o o o 