data_[Ba2Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3409]
_cell_length_b [5.9773]
_cell_length_c [7.2088]
_cell_angle_alpha [84.7072]
_cell_angle_beta [79.1586]
_cell_angle_gamma [73.7514]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2Te3]
_chemical_formula_sum '[Ba2 Te3]'
_cell_volume [216.8072]
_cell_formula_units_Z [1]
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  0.3373  0.2849  0.7350  1.0
  Te  Te1  2  0.2952  0.3076  0.2265  1.0
  Te  Te2  1  0.0000  0.0000  0.5000  1.0
]