data_ZrP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrP5
_chemical_formula_sum   'Zr1 P5'
_cell_volume   100.66
_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  Zr5  1  0.0  0.0  0.0  1.0
  P  P0  1  0.53  0.0  0.49  1.0
  P  P1  1  0.65  0.13  0.49  1.0
  P  P2  1  0.24  0.05  0.49  1.0
  P  P3  1  0.41  0.39  0.0  1.0
  P  P4  1  0.0  0.79  0.0  1.0

data_ZrP5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.83
_cell_length_b   4.98
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrP5
_chemical_formula_sum   'Zr1 P5'
_cell_volume   100.66
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.0  0.79  1.0
  P  P2  1  0.24  0.5  0.05  1.0
  P  P3  1  0.41  0.0  0.39  1.0
  P  P4  1  0.53  0.5  0.0  1.0
  P  P5  1  0.65  0.5  0.13  1.0

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