data_[Sr8Sm4In4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5030]
_cell_length_b [20.1892]
_cell_length_c [13.9943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2SmInTe5]
_chemical_formula_sum '[Sr8 Sm4 In4 Te20]'
_cell_volume [1272.2526]
_cell_formula_units_Z [4]
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  4  0.0000  0.1180  0.6800  1.0
  Sr  Sr1  4  0.0000  0.1285  0.3190  1.0
  Sm  Sm2  4  0.0000  0.2094  0.0203  1.0
  In  In3  4  0.0000  0.4435  0.4412  1.0
  Te  Te4  4  0.0000  0.0479  0.0641  1.0
  Te  Te5  4  0.0000  0.2898  0.6736  1.0
  Te  Te6  4  0.0000  0.3110  0.3589  1.0
  Te  Te7  4  0.0000  0.3608  0.0025  1.0
  Te  Te8  4  0.0000  0.4957  0.7645  1.0
]