data_[Ca2Sm6Pt4]
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
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.8544]
_cell_length_b [8.9240]
_cell_length_c [7.4171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CaSm3Pt2]
_chemical_formula_sum '[Ca2 Sm6 Pt4]'
_cell_volume [321.3115]
_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  0.4181  0.5122  1
  Sm  Sm1  2  0.0000  0.0828  0.4900  1
  Sm  Sm2  2  0.0000  0.3308  0.8544  1
  Sm  Sm3  2  0.5000  0.1682  0.1443  1
  Pt  Pt4  2  0.0000  0.3378  0.2475  1
  Pt  Pt5  2  0.5000  0.1510  0.7516  1
]