data_FeP2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.83
_cell_angle_alpha   94.08
_cell_angle_beta   94.08
_cell_angle_gamma   48.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Au
_chemical_formula_sum   'Fe1 P2 Au1'
_cell_volume   65.25
_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
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.12  0.0  0.86  1.0
  P  P3  1  0.49  0.0  0.96  1.0
  Au  Au0  1  0.31  0.0  0.91  1.0

data_FeP2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.87
_cell_length_c   5.83
_cell_angle_alpha   94.08
_cell_angle_beta   90.0
_cell_angle_gamma   114.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Au
_chemical_formula_sum   'Fe1 P2 Au1'
_cell_volume   65.25
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.51  0.04  1.0
  P  P2  1  0.0  0.88  0.14  1.0
  Au  Au3  1  0.0  0.69  0.09  1.0

Fe P P Au