data_[Ba1Nd1In2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1687]
_cell_length_b [4.6105]
_cell_length_c [8.3265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaNd(InTe2)2]
_chemical_formula_sum '[Ba1 Nd1 In2 Te4]'
_cell_volume [297.4815]
_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  1  0.5000  0.5000  0.0000  1.0
  Nd  Nd1  1  0.5000  0.0000  0.5000  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  In  In3  1  0.0000  0.5000  0.5000  1.0
  Te  Te4  2  0.2431  0.0000  0.7188  1.0
  Te  Te5  2  0.2587  0.5000  0.2790  1.0
]