data_[Ba4Lu4Cu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Lu  1.2700  1.7500  1.0010
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5716]
_cell_length_b [4.4585]
_cell_length_c [9.0208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLuCuTe3]
_chemical_formula_sum '[Ba4 Lu4 Cu4 Te12]'
_cell_volume [770.4297]
_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  0.1307  0.0000  0.0693  1
  Lu  Lu1  4  0.1619  0.0000  0.5785  1
  Cu  Cu2  4  0.0400  0.5000  0.7018  1
  Te  Te3  4  0.1752  0.5000  0.8081  1
  Te  Te4  4  0.1772  0.5000  0.3628  1
  Te  Te5  2  0.0000  0.0000  0.5000  1
  Te  Te6  2  0.0000  0.5000  0.0000  1
]