data_[Ba8Dy4Mn4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Dy  1.2200  1.7500  1.1310
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5557]
_cell_length_b [20.0090]
_cell_length_c [14.3274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2DyMnTe5]
_chemical_formula_sum '[Ba8 Dy4 Mn4 Te20]'
_cell_volume [1306.0213]
_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
[
  Ba  Ba0  4  0.0000  0.1185  0.3362  1.0
  Ba  Ba1  4  0.0000  0.1279  0.6941  1.0
  Dy  Dy2  4  0.0000  0.1961  0.0290  1.0
  Mn  Mn3  4  0.0000  0.4368  0.4242  1.0
  Te  Te4  4  0.0000  0.0373  0.0167  1.0
  Te  Te5  4  0.0000  0.3067  0.6729  1.0
  Te  Te6  4  0.0000  0.3079  0.3751  1.0
  Te  Te7  4  0.0000  0.3459  0.0136  1.0
  Te  Te8  4  0.0000  0.4964  0.2622  1.0
]