data_Zr2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   6.72
_cell_angle_alpha   95.73
_cell_angle_beta   95.73
_cell_angle_gamma   39.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2P
_chemical_formula_sum   'Zr4 P2'
_cell_volume   116.35
_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  0.87  0.0  0.65  1.0
  Zr  Zr3  1  0.86  0.0  0.59  1.0
  Zr  Zr4  1  0.25  0.0  0.86  1.0
  Zr  Zr5  1  0.9  0.0  0.55  1.0
  P  P0  1  0.78  0.0  0.38  1.0
  P  P1  1  0.88  0.0  0.57  1.0

data_Zr2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.24
_cell_length_c   6.72
_cell_angle_alpha   95.73
_cell_angle_beta   90.0
_cell_angle_gamma   109.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2P
_chemical_formula_sum   'Zr4 P2'
_cell_volume   116.35
_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  Zr0  1  0.0  0.1  0.45  1.0
  Zr  Zr1  1  0.0  0.13  0.35  1.0
  Zr  Zr2  1  0.0  0.14  0.41  1.0
  Zr  Zr3  1  0.0  0.75  0.14  1.0
  P  P4  1  0.0  0.12  0.43  1.0
  P  P5  1  0.0  0.22  0.62  1.0

Zr Zr Zr Zr P P
Zr Zr Zr Zr P P 0 1 o o o 0 2 + o o 1 5 o o o 1 2 + o o 1 4 o o o 2 5 - o o 2 3 - o o 3 5 o o o 3 4 o o o 4 5 o o o 