data_P2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   11.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2AuSe
_chemical_formula_sum   'P2 Au1 Se1'
_cell_volume   79.55
_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
  P  P1  1  0.86  0.0  0.88  1.0
  P  P2  1  0.86  0.0  0.37  1.0
  Au  Au0  1  0.0  0.0  0.62  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_P2AuSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   11.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   P2AuSe
_chemical_formula_sum   'P2 Au1 Se1'
_cell_volume   79.57
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  P  P0  1  0.86  0.0  0.37  1.0
  P  P1  1  0.86  0.0  0.88  1.0
  Au  Au2  1  0.0  0.0  0.62  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

P P Au Se