data_[Sm2Ga2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.2062]
_cell_length_b [4.1310]
_cell_length_c [7.1323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [SmGaSi]
_chemical_formula_sum '[Sm2 Ga2 Si2]'
_cell_volume [123.9292]
_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  0.2500  0.0000  0.2399  1.0
  Ga  Ga1  2  0.2500  0.5000  0.5842  1.0
  Si  Si2  2  0.2500  0.5000  0.9217  1.0
]