data_[Ce3Sm3Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0620]
_cell_length_b [4.0620]
_cell_length_c [21.2032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CeSmPt2]
_chemical_formula_sum '[Ce3 Sm3 Pt6]'
_cell_volume [302.9762]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  3  0.0000  0.0000  0.3310  1
  Sm  Sm1  3  0.0000  0.0000  0.5026  1
  Pt  Pt2  3  0.0000  0.0000  0.7478  1
  Pt  Pt3  3  0.0000  0.0000  0.9186  1
]