data_[Cs6Sr2Sm4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1112]
_cell_length_b [14.0496]
_cell_length_c [9.4374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Sr(SmTe3)2]
_chemical_formula_sum '[Cs6 Sr2 Sm4 Te12]'
_cell_volume [1030.5886]
_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
[
  Cs  Cs0  4  0.0000  0.1618  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Sr  Sr2  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm3  4  0.0000  0.3328  0.0000  1.0
  Te  Te4  8  0.2412  0.1753  0.1966  1.0
  Te  Te5  4  0.2145  0.5000  0.1943  1.0
]