data_[Sm10Ge2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.8864]
_cell_length_b [9.8864]
_cell_length_c [6.2346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Sm5GeTe4]
_chemical_formula_sum '[Sm10 Ge2 Te8]'
_cell_volume [609.3816]
_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  0.0965  0.2772  0.0000  1.0
  Sm  Sm1  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  8  0.0930  0.3048  0.5000  1.0
]