data_[Sm1As2Pt1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.4811]
_cell_length_b [5.4811]
_cell_length_c [6.8942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [SmAs2PtO8]
_chemical_formula_sum '[Sm1 As2 Pt1 O8]'
_cell_volume [179.3670]
_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
[
  Sm  Sm0  1  0.0000  0.0000  0.5000  1
  As  As1  2  0.3333  0.6667  0.7196  1
  Pt  Pt2  1  0.0000  0.0000  0.0000  1
  O  O3  6  0.1566  0.8434  0.7847  1
  O  O4  2  0.3333  0.6667  0.4742  1
]