data_[Sr4Yb4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Yb  1.1000  1.7500  1.0840
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0286]
_cell_length_b [4.9259]
_cell_length_c [9.1319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrYbSi]
_chemical_formula_sum '[Sr4 Yb4 Si4]'
_cell_volume [361.1494]
_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
[
  Sr  Sr0  4  0.0227  0.2500  0.6797  1.0
  Yb  Yb1  4  0.1469  0.2500  0.0736  1.0
  Si  Si2  4  0.2333  0.7500  0.8932  1.0
]