data_[Rb2Nd1Th1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9280]
_cell_length_b [4.5731]
_cell_length_c [9.0708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Rb2NdThTe4]
_chemical_formula_sum '[Rb2 Nd1 Th1 Te4]'
_cell_volume [314.7170]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Rb  Rb1  1  0.5000  0.0000  0.5000  1
  Nd  Nd2  1  0.5000  0.5000  0.0000  1
  Th  Th3  1  0.0000  0.0000  0.0000  1
  Te  Te4  2  0.2330  0.5000  0.2082  1
  Te  Te5  2  0.2600  0.0000  0.7919  1
]