data_[Rb2Tb1Nd1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2109]
_cell_length_b [4.1618]
_cell_length_c [8.0754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Rb2TbNdS4]
_chemical_formula_sum '[Rb2 Tb1 Nd1 S4]'
_cell_volume [231.3944]
_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  1.0
  Rb  Rb1  1  0.5000  0.0000  0.5000  1.0
  Tb  Tb2  1  0.5000  0.5000  0.0000  1.0
  Nd  Nd3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2386  0.5000  0.1962  1.0
  S  S5  2  0.2752  0.0000  0.8065  1.0
]