data_GaP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   6.45
_cell_angle_alpha   111.01
_cell_angle_beta   111.01
_cell_angle_gamma   50.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaP2Pt
_chemical_formula_sum   'Ga1 P2 Pt1'
_cell_volume   66.96
_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  0.49  0.0  0.49  1.0
  P  P1  1  0.89  0.0  0.9  1.0
  P  P2  1  0.3  0.0  0.32  1.0
  Pt  Pt3  1  0.31  0.0  0.1  1.0

data_GaP2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.84
_cell_length_c   6.21
_cell_angle_alpha   75.77
_cell_angle_beta   74.82
_cell_angle_gamma   64.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaP2Pt
_chemical_formula_sum   'Ga1 P2 Pt1'
_cell_volume   66.96
_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  0.01  0.49  1.0
  P  P1  1  0.0  0.99  0.32  1.0
  P  P2  1  0.0  0.99  0.9  1.0
  Pt  Pt3  1  0.0  0.21  0.1  1.0

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