data_[Fe2As2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1551]
_cell_length_b [2.9278]
_cell_length_c [4.6209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeAsPt2]
_chemical_formula_sum '[Fe2 As2 Pt4]'
_cell_volume [123.6560]
_cell_formula_units_Z [2]
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  2  0.2695  0.0000  0.7774  1
  As  As1  2  0.4924  0.0000  0.4861  1
  Pt  Pt2  2  0.0008  0.0000  0.9662  1
  Pt  Pt3  2  0.2373  0.5000  0.2703  1
]