data_[Sm12Er6Tm4In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1444]
_cell_length_b [10.6526]
_cell_length_c [11.6684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Er3Tm2In]
_chemical_formula_sum '[Sm12 Er6 Tm4 In2]'
_cell_volume [751.6770]
_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  8  0.2471  0.1645  0.2475  1.0
  Sm  Sm1  4  0.2457  0.0000  0.7514  1.0
  Er  Er2  4  0.0000  0.1676  0.5000  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm4  4  0.0000  0.3333  0.0000  1.0
  In  In5  2  0.0000  0.0000  0.0000  1.0
]