data_[Sm2Tm2Mg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0970]
_cell_length_b [7.3053]
_cell_length_c [10.9173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SmTmMg6]
_chemical_formula_sum '[Sm2 Tm2 Mg12]'
_cell_volume [406.5080]
_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  0.5000  0.0000  0.6190  1.0
  Tm  Tm1  2  0.0000  0.0000  0.8823  1.0
  Mg  Mg2  4  0.0000  0.2163  0.1502  1.0
  Mg  Mg3  4  0.5000  0.2179  0.3506  1.0
  Mg  Mg4  2  0.0000  0.0000  0.4177  1.0
  Mg  Mg5  2  0.5000  0.0000  0.0798  1.0
]