data_[Ba4In2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.1224]
_cell_length_b [4.4803]
_cell_length_c [5.6976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba2InTe]
_chemical_formula_sum '[Ba4 In2 Te2]'
_cell_volume [329.8399]
_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  0.2539  0.0000  0.6061  1
  Ba  Ba1  2  0.4980  0.5000  0.1449  1
  In  In2  2  0.0276  0.5000  0.6667  1
  Te  Te3  2  0.2205  0.5000  0.0823  1
]