data_SrZrP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   4.1
_cell_length_c   15.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrP3
_chemical_formula_sum   'Sr4 Zr4 P12'
_cell_volume   465.19
_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
  Sr  Sr12  1  0.15  0.03  0.8  1.0
  Sr  Sr13  1  0.55  0.08  0.85  1.0
  Sr  Sr14  1  0.98  0.08  0.09  1.0
  Sr  Sr15  1  0.58  0.03  0.03  1.0
  Zr  Zr16  1  0.83  0.03  0.09  1.0
  Zr  Zr17  1  0.87  0.08  0.03  1.0
  Zr  Zr18  1  0.3  0.08  0.8  1.0
  Zr  Zr19  1  0.27  0.03  0.86  1.0
  P  P0  1  0.0  0.03  0.47  1.0
  P  P1  1  0.7  0.08  0.53  1.0
  P  P2  1  0.13  0.08  0.42  1.0
  P  P3  1  0.43  0.03  0.36  1.0
  P  P4  1  0.69  0.03  0.33  1.0
  P  P5  1  0.02  0.08  0.27  1.0
  P  P6  1  0.45  0.08  0.56  1.0
  P  P7  1  0.12  0.03  0.62  1.0
  P  P8  1  0.22  0.03  0.64  1.0
  P  P9  1  0.48  0.08  0.58  1.0
  P  P10  1  0.91  0.08  0.25  1.0
  P  P11  1  0.66  0.03  0.31  1.0

data_SrZrP3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.1
_cell_length_b   7.13
_cell_length_c   15.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrZrP3
_chemical_formula_sum   'Sr4 Zr4 P12'
_cell_volume   465.19
_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
  Sr  Sr0  2  0.47  0.02  0.09  1.0
  Sr  Sr1  2  0.47  0.58  0.85  1.0
  Zr  Zr2  2  0.47  0.27  0.14  1.0
  Zr  Zr3  2  0.47  0.7  0.91  1.0
  P  P4  2  0.47  0.09  0.36  1.0
  P  P5  2  0.47  0.12  0.38  1.0
  P  P6  2  0.47  0.43  0.53  1.0
  P  P7  2  0.47  0.55  0.67  1.0
  P  P8  2  0.47  0.66  0.69  1.0
  P  P9  2  0.47  0.87  0.42  1.0

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