data_[Sm4Mg4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0216]
_cell_length_b [5.0216]
_cell_length_c [14.5434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [SmMgIn]
_chemical_formula_sum '[Sm4 Mg4 In4]'
_cell_volume [317.5989]
_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
[
  Sm  Sm0  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  2  0.0000  0.0000  0.2500  1.0
  Mg  Mg2  4  0.3333  0.6667  0.8818  1.0
  In  In3  4  0.3333  0.6667  0.1238  1.0
]