data_Ga2ReP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   8.11
_cell_angle_alpha   21.91
_cell_angle_beta   21.91
_cell_angle_gamma   21.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReP
_chemical_formula_sum   'Ga2 Re1 P1'
_cell_volume   65.16
_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
  Ga  Ga0  1  0.0  0.0  0.62  1.0
  Ga  Ga1  1  0.0  0.0  0.87  1.0
  Re  Re3  1  0.0  0.0  0.76  1.0
  P  P2  1  0.0  0.0  0.11  1.0

data_Ga2ReP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   3.08
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   102.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2ReP
_chemical_formula_sum   'Ga4 Re2 P2'
_cell_volume   130.31
_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
  Ga  Ga0  2  0.0  0.0  0.13  1.0
  Ga  Ga1  2  0.0  0.0  0.38  1.0
  Re  Re2  2  0.0  0.0  0.24  1.0
  P  P3  2  0.0  0.0  0.89  1.0

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