data_[Rb16Zr2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.0957]
_cell_length_b [9.7540]
_cell_length_c [13.8801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Rb8ZrTe6]
_chemical_formula_sum '[Rb16 Zr2 Te12]'
_cell_volume [1502.2099]
_cell_formula_units_Z [2]
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  0.1735  0.9858  0.1455  1
  Rb  Rb1  4  0.1831  0.8307  0.8476  1
  Rb  Rb2  4  0.1982  0.5622  0.2254  1
  Rb  Rb3  2  0.0000  0.3395  0.5003  1
  Rb  Rb4  2  0.0000  0.3513  0.9849  1
  Zr  Zr5  2  0.0000  0.8187  0.5443  1
  Te  Te6  4  0.2046  0.8163  0.4301  1
  Te  Te7  2  0.0000  0.0491  0.6637  1
  Te  Te8  2  0.0000  0.2679  0.2520  1
  Te  Te9  2  0.0000  0.6041  0.6776  1
  Te  Te10  2  0.0000  0.7120  0.0436  1
]