data_[Ba4La4Cu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5632]
_cell_length_b [15.0190]
_cell_length_c [11.9612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaLaCuTe3]
_chemical_formula_sum '[Ba4 La4 Cu4 Te12]'
_cell_volume [819.7586]
_cell_formula_units_Z [4]
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  4  0.0000  0.2519  0.2500  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.4684  0.7500  1.0
  Te  Te3  8  0.0000  0.3600  0.5720  1.0
  Te  Te4  4  0.0000  0.0705  0.7500  1.0
]