data_[In2Pt4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3670]
_cell_length_b [2.8677]
_cell_length_c [5.0835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InPt2W]
_chemical_formula_sum '[In2 Pt4 W2]'
_cell_volume [135.0322]
_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
[
  In  In0  2  0.2501  0.5000  0.2242  1
  Pt  Pt1  2  0.0003  0.0000  0.0150  1
  Pt  Pt2  2  0.2457  0.0000  0.7169  1
  W  W3  2  0.0039  0.5000  0.5439  1
]