data_Zr5P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   93.04
_cell_angle_beta   93.04
_cell_angle_gamma   153.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5P4
_chemical_formula_sum   'Zr5 P4'
_cell_volume   208.41
_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  Zr4  1  0.0  0.0  0.0  1.0
  Zr  Zr5  1  0.24  0.76  0.8  1.0
  Zr  Zr6  1  0.76  0.24  0.8  1.0
  Zr  Zr7  1  0.62  0.62  0.0  1.0
  Zr  Zr8  1  0.76  0.76  0.8  1.0
  P  P0  1  0.0  0.09  0.0  1.0
  P  P1  1  0.0  0.66  0.0  1.0
  P  P2  1  0.66  0.0  0.0  1.0
  P  P3  1  0.09  0.0  0.0  1.0

data_Zr5P4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.6
_cell_length_b   15.21
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   103.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr5P4
_chemical_formula_sum   'Zr10 P8'
_cell_volume   416.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.0  0.24  0.2  1.0
  Zr  Zr1  2  0.0  0.0  0.0  1.0
  Zr  Zr2  2  0.24  0.0  0.2  1.0
  Zr  Zr3  2  0.38  0.0  -0.0  1.0
  P  P4  4  0.17  0.17  -0.0  1.0
  P  P5  4  0.45  0.45  -0.0  1.0

Zr Zr Zr Zr Zr P P P P