data_FeP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   4.5
_cell_angle_alpha   104.38
_cell_angle_beta   104.38
_cell_angle_gamma   43.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Pt
_chemical_formula_sum   'Fe1 P2 Pt1'
_cell_volume   56.04
_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  0.26  0.0  0.39  1.0
  P  P1  1  0.89  0.0  0.94  1.0
  P  P2  1  0.67  0.0  0.71  1.0
  Pt  Pt3  1  0.38  0.0  0.79  1.0

data_FeP2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.35
_cell_length_c   4.5
_cell_angle_alpha   104.38
_cell_angle_beta   90.0
_cell_angle_gamma   111.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Pt
_chemical_formula_sum   'Fe1 P2 Pt1'
_cell_volume   56.04
_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  0.74  0.61  1.0
  P  P1  1  0.0  0.11  0.06  1.0
  P  P2  1  0.0  0.33  0.29  1.0
  Pt  Pt3  1  0.0  0.62  0.21  1.0

Fe P P Pt
Fe P P Pt 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 