data_GaP2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   5.89
_cell_angle_alpha   108.36
_cell_angle_beta   108.36
_cell_angle_gamma   40.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaP2Ru
_chemical_formula_sum   'Ga1 P2 Ru1'
_cell_volume   66.52
_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  0.18  0.0  0.3  1.0
  P  P1  1  0.32  0.0  0.02  1.0
  P  P2  1  0.15  0.0  0.28  1.0
  Ru  Ru3  1  0.43  0.0  0.72  1.0

data_GaP2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.29
_cell_length_c   5.89
_cell_angle_alpha   108.36
_cell_angle_beta   90.0
_cell_angle_gamma   110.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaP2Ru
_chemical_formula_sum   'Ga1 P2 Ru1'
_cell_volume   66.52
_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  0.82  0.7  1.0
  P  P1  1  0.0  0.68  0.98  1.0
  P  P2  1  0.0  0.85  0.72  1.0
  Ru  Ru3  1  0.0  0.57  0.28  1.0

Ga P P Ru