data_[La4Re2Si10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.9453]
_cell_length_b [5.9453]
_cell_length_c [9.1736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [La2ReSi5]
_chemical_formula_sum '[La4 Re2 Si10]'
_cell_volume [324.2525]
_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
[
  La  La0  4  0.0000  0.5000  0.2654  1
  Si  Si1  8  0.2088  0.2088  0.5143  1
  Si  Si2  2  0.0000  0.0000  0.7138  1
  Re  Re3  2  0.0000  0.0000  0.9751  1
]