data_Zr3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3P
_chemical_formula_sum   'Zr6 P2'
_cell_volume   156.26
_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
  Zr  Zr2  1  0.32  0.62  0.63  1.0
  Zr  Zr3  1  0.32  0.38  0.21  1.0
  Zr  Zr4  1  0.8  0.04  0.63  1.0
  Zr  Zr5  1  0.84  0.96  0.21  1.0
  Zr  Zr6  1  0.8  0.96  0.21  1.0
  Zr  Zr7  1  0.84  0.04  0.63  1.0
  P  P0  1  0.32  0.36  0.63  1.0
  P  P1  1  0.32  0.64  0.21  1.0

data_Zr3P
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.84
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   111.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zr3P
_chemical_formula_sum   'Zr6 P2'
_cell_volume   156.26
_cell_formula_units_Z   2
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
  Zr  Zr0  2  0.21  0.0  0.62  1.0
  Zr  Zr1  2  0.21  0.48  0.04  1.0
  Zr  Zr2  2  0.21  0.52  0.04  1.0
  P  P3  2  0.21  0.0  0.36  1.0

Zr Zr Zr Zr Zr Zr P P
Zr Zr Zr Zr Zr Zr P P 0 6 o o o 1 7 o o o 2 5 o o o 3 4 o o o 