data_[Sm2Mn4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0588]
_cell_length_b [4.0588]
_cell_length_c [10.1075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Sm(MnSi)2]
_chemical_formula_sum '[Sm2 Mn4 Si4]'
_cell_volume [166.5076]
_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
[
  Sm  Sm0  2  0.0000  0.5000  0.7410  1
  Mn  Mn1  2  0.0000  0.0000  0.0000  1
  Mn  Mn2  2  0.0000  0.5000  0.3770  1
  Si  Si3  2  0.0000  0.0000  0.5000  1
  Si  Si4  2  0.0000  0.5000  0.1358  1
]