data_[Sr1Ir1Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.9886]
_cell_length_b [2.9886]
_cell_length_c [8.3280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [SrIrPt2]
_chemical_formula_sum '[Sr1 Ir1 Pt2]'
_cell_volume [74.3850]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.5010  1
  Ir  Ir1  1  0.5000  0.5000  0.7881  1
  Pt  Pt2  1  0.0000  0.0000  0.9940  1
  Pt  Pt3  1  0.5000  0.5000  0.2169  1
]