data_[Ca2Sm4Pt2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Pt  2.2800  1.3500  0.8050
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5947]
_cell_length_b [5.9420]
_cell_length_c [9.8129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaSm2PtO6]
_chemical_formula_sum '[Ca2 Sm4 Pt2 O12]'
_cell_volume [269.7654]
_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
[
  Ca  Ca0  2  0.5000  0.0000  0.0000  1.0
  Sm  Sm1  4  0.2287  0.0658  0.2524  1.0
  Pt  Pt2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1011  0.2105  0.9268  1.0
  O  O4  4  0.2362  0.6835  0.9392  1.0
  O  O5  4  0.3644  0.0606  0.7317  1.0
]