data_[Sr8Sm4Ga4Te20]
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
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4203]
_cell_length_b [20.3201]
_cell_length_c [13.7931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2SmGaTe5]
_chemical_formula_sum '[Sr8 Sm4 Ga4 Te20]'
_cell_volume [1238.9034]
_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  0.1189  0.6820  1.0
  Sr  Sr1  4  0.0000  0.1224  0.3233  1.0
  Sm  Sm2  4  0.0000  0.2061  0.0239  1.0
  Ga  Ga3  4  0.0000  0.4393  0.4340  1.0
  Te  Te4  4  0.0000  0.0450  0.0478  1.0
  Te  Te5  4  0.0000  0.2933  0.6803  1.0
  Te  Te6  4  0.0000  0.3151  0.3603  1.0
  Te  Te7  4  0.0000  0.3566  0.0046  1.0
  Te  Te8  4  0.0000  0.4993  0.7677  1.0
]