data_[Ba4Y4Cu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.4483]
_cell_length_b [4.4317]
_cell_length_c [14.9173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaYCuTe3]
_chemical_formula_sum '[Ba4 Y4 Cu4 Te12]'
_cell_volume [756.8345]
_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  0.2380  0.2500  0.0011  1
  Y  Y1  4  0.0126  0.7500  0.7471  1
  Cu  Cu2  4  0.2452  0.7500  0.2170  1
  Te  Te3  4  0.0519  0.7500  0.1163  1
  Te  Te4  4  0.0700  0.2500  0.6099  1
  Te  Te5  4  0.2398  0.2500  0.3202  1
]