data_[Rb6Er2Th4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7997]
_cell_length_b [13.5037]
_cell_length_c [9.0896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Er(ThTe3)2]
_chemical_formula_sum '[Rb6 Er2 Th4 Te12]'
_cell_volume [917.3665]
_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  0.0000  0.1692  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.5000  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Th  Th3  4  0.0000  0.3339  0.0000  1
  Te  Te4  8  0.2315  0.1631  0.2060  1
  Te  Te5  4  0.2435  0.5000  0.2073  1
]