data_[Ba2Li1Sm1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1480]
_cell_length_b [4.7252]
_cell_length_c [8.1539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2LiSmTe4]
_chemical_formula_sum '[Ba2 Li1 Sm1 Te4]'
_cell_volume [296.7477]
_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  0.0000  0.5000  0.5000  1.0
  Ba  Ba1  1  0.5000  0.0000  0.5000  1.0
  Li  Li2  1  0.5000  0.5000  0.0000  1.0
  Sm  Sm3  1  0.0000  0.0000  0.0000  1.0
  Te  Te4  2  0.2392  0.5000  0.2173  1.0
  Te  Te5  2  0.2568  0.0000  0.7827  1.0
]