data_FePtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   138.22
_cell_angle_beta   138.22
_cell_angle_gamma   60.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePtSe2
_chemical_formula_sum   'Fe1 Pt1 Se2'
_cell_volume   67.53
_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
  Pt  Pt1  1  0.91  0.0  0.31  1.0
  Se  Se2  1  0.0  0.0  0.63  1.0
  Se  Se3  1  0.0  0.91  0.31  1.0

data_FePtSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   5.36
_cell_angle_alpha   110.89
_cell_angle_beta   110.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePtSe2
_chemical_formula_sum   'Fe1 Pt1 Se2'
_cell_volume   67.53
_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
  Pt  Pt1  1  0.69  0.0  0.6  1.0
  Se  Se2  1  0.37  0.0  0.37  1.0
  Se  Se3  1  0.6  0.91  0.6  1.0

Fe Pt Se Se