data_[Sm4Y4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7866]
_cell_length_b [7.2130]
_cell_length_c [6.8965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SmYPt]
_chemical_formula_sum '[Sm4 Y4 Pt4]'
_cell_volume [335.0363]
_cell_formula_units_Z [4]
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  4  0.3999  0.6064  0.7292  1.0
  Y  Y1  4  0.0648  0.2387  0.5027  1.0
  Pt  Pt2  4  0.2074  0.5447  0.2966  1.0
]