data_ZrGa2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.68
_cell_length_c   7.68
_cell_angle_alpha   26.25
_cell_angle_beta   26.25
_cell_angle_gamma   26.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2P
_chemical_formula_sum   'Zr1 Ga2 P1'
_cell_volume   78.03
_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  Zr3  1  0.0  0.0  0.92  1.0
  Ga  Ga0  1  0.0  0.0  0.18  1.0
  Ga  Ga1  1  0.0  0.0  0.31  1.0
  P  P2  1  0.0  0.0  0.16  1.0

data_ZrGa2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.04
_cell_length_b   3.49
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   105.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrGa2P
_chemical_formula_sum   'Zr2 Ga4 P2'
_cell_volume   156.06
_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  2  0.0  0.0  0.08  1.0
  Ga  Ga1  2  -0.0  0.0  0.82  1.0
  Ga  Ga2  2  0.0  0.0  0.69  1.0
  P  P3  2  -0.0  0.0  0.84  1.0

Zr Ga Ga P
Zr Ga Ga P 0 3 o o + 0 1 o o + 1 3 o o o 1 2 o o o 2 3 o o o 