data_FeAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.65
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAs2Pt
_chemical_formula_sum   'Fe1 As2 Pt1'
_cell_volume   69.77
_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  Fe2  1  0.0  0.0  0.1  1.0
  As  As0  1  0.0  0.0  0.66  1.0
  As  As1  1  0.54  0.83  0.13  1.0
  Pt  Pt3  1  0.54  0.83  0.65  1.0

data_FeAs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.65
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAs2Pt
_chemical_formula_sum   'Fe1 As2 Pt1'
_cell_volume   69.77
_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  0.1  1.0
  As  As1  1  0.0  0.0  0.66  1.0
  As  As2  1  0.54  0.83  0.13  1.0
  Pt  Pt3  1  0.54  0.83  0.65  1.0

Fe As As Pt
Fe As As Pt 0 2 - - o 0 2 o - o 1 3 - - o 1 3 o - o 