data_ZnGa2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.9
_cell_length_b   9.9
_cell_length_c   9.9
_cell_angle_alpha   16.54
_cell_angle_beta   16.54
_cell_angle_gamma   16.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2P
_chemical_formula_sum   'Zn1 Ga2 P1'
_cell_volume   68.63
_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
  Zn  Zn3  1  0.0  0.0  0.09  1.0
  Ga  Ga0  1  0.0  0.0  0.16  1.0
  Ga  Ga1  1  0.0  0.0  0.2  1.0
  P  P2  1  0.0  0.0  0.5  1.0

data_ZnGa2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   2.85
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   99.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnGa2P
_chemical_formula_sum   'Zn2 Ga4 P2'
_cell_volume   137.26
_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
  Zn  Zn0  2  0.0  0.0  0.91  1.0
  Ga  Ga1  2  0.0  0.0  0.8  1.0
  Ga  Ga2  2  0.0  0.0  0.84  1.0
  P  P3  2  0.0  0.0  0.5  1.0

Zn Ga Ga P
Zn Ga Ga P 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 