data_[Rb4Cu4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [13.9894]
_cell_length_b [4.3867]
_cell_length_c [6.6377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbCuTe]
_chemical_formula_sum '[Rb4 Cu4 Te4]'
_cell_volume [396.9461]
_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
[
  Rb  Rb0  4  0.0991  0.0000  0.3041  1
  Cu  Cu1  4  0.2167  0.0000  0.9167  1
  Te  Te2  4  0.1276  0.5000  0.7721  1
]