data_[Sr2Pr4Sm6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pr  1.1300  1.8500  1.0600
  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 [19.7666]
_cell_length_b [4.5038]
_cell_length_c [9.0636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrPr2(SmTe2)3]
_chemical_formula_sum '[Sr2 Pr4 Sm6 Te12]'
_cell_volume [782.8003]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.0000  1.0
  Pr  Pr1  4  0.1727  0.0000  0.3445  1.0
  Sm  Sm2  4  0.1670  0.0000  0.8244  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  4  0.0005  0.0000  0.2570  1.0
  Te  Te5  4  0.1624  0.5000  0.5854  1.0
  Te  Te6  4  0.1693  0.5000  0.0782  1.0
]