data_Zr5P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   7.63
_cell_angle_alpha   100.81
_cell_angle_beta   100.81
_cell_angle_gamma   35.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5P
_chemical_formula_sum   'Zr5 P1'
_cell_volume   130.79
_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
  Zr  Zr1  1  0.98  0.0  0.83  1.0
  Zr  Zr2  1  0.35  0.0  0.38  1.0
  Zr  Zr3  1  0.18  0.0  0.59  1.0
  Zr  Zr4  1  0.53  0.0  0.49  1.0
  Zr  Zr5  1  0.51  0.0  0.28  1.0
  P  P0  1  0.55  0.0  0.09  1.0

data_Zr5P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.46
_cell_length_c   7.63
_cell_angle_alpha   100.81
_cell_angle_beta   90.0
_cell_angle_gamma   107.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5P
_chemical_formula_sum   'Zr5 P1'
_cell_volume   130.79
_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
  Zr  Zr0  1  0.0  0.02  0.17  1.0
  Zr  Zr1  1  0.0  0.47  0.51  1.0
  Zr  Zr2  1  0.0  0.49  0.72  1.0
  Zr  Zr3  1  0.0  0.65  0.62  1.0
  Zr  Zr4  1  0.0  0.82  0.41  1.0
  P  P5  1  0.0  0.45  0.91  1.0

Zr Zr Zr Zr Zr P