data_[Sm2Fe2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.0865]
_cell_length_b [19.1335]
_cell_length_c [8.6062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [SmFeTe3]
_chemical_formula_sum '[Sm2 Fe2 Te6]'
_cell_volume [1002.2435]
_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  0.5000  0.6722  1
  Fe  Fe1  2  0.0000  0.5000  0.0000  1
  Te  Te2  4  0.2500  0.3920  0.9318  1
  Te  Te3  2  0.2500  0.5000  0.3112  1
]