data_[Ba2Sr4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2945]
_cell_length_b [10.3932]
_cell_length_c [18.5660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaSr2Te3]
_chemical_formula_sum '[Ba2 Sr4 Te6]'
_cell_volume [1600.5097]
_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
[
  Ba  Ba0  2  0.3962  0.0000  0.5891  1
  Sr  Sr1  4  0.2840  0.2826  0.4435  1
  Te  Te2  4  0.0511  0.1906  0.5634  1
  Te  Te3  2  0.4990  0.0000  0.3970  1
]