data_[La8Mn8Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.0918]
_cell_length_b [4.0918]
_cell_length_c [35.4600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [LaMnSi2]
_chemical_formula_sum '[La8 Mn8 Si16]'
_cell_volume [593.7000]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.0732  1.0
  Mn  Mn1  8  0.0000  0.0000  0.2505  1.0
  Si  Si2  8  0.0000  0.0000  0.3923  1.0
  Si  Si3  8  0.0000  0.0000  0.4626  1.0
]