data_[In2As4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.3485]
_cell_length_b [3.6776]
_cell_length_c [6.8495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InAs2Pt]
_chemical_formula_sum '[In2 As4 Pt2]'
_cell_volume [173.1238]
_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  0.0089  0.5000  0.4738  1
  As  As1  2  0.0363  0.0000  0.0220  1
  As  As2  2  0.2156  0.0000  0.7725  1
  Pt  Pt3  2  0.2392  0.5000  0.2318  1
]