data_[Sr8Mn4In4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  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 [4.3697]
_cell_length_b [20.5535]
_cell_length_c [13.8330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2MnInTe5]
_chemical_formula_sum '[Sr8 Mn4 In4 Te20]'
_cell_volume [1242.3688]
_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  0.1000  0.6452  1.0
  Sr  Sr1  4  0.0000  0.1239  0.2947  1.0
  Mn  Mn2  4  0.0000  0.2397  0.0392  1.0
  In  In3  4  0.0000  0.4233  0.4432  1.0
  Te  Te4  4  0.0000  0.0555  0.0673  1.0
  Te  Te5  4  0.0000  0.2648  0.6715  1.0
  Te  Te6  4  0.0000  0.2852  0.4154  1.0
  Te  Te7  4  0.0000  0.3680  0.9778  1.0
  Te  Te8  4  0.0000  0.4909  0.2698  1.0
]