data_[Cs3Tb3Cr3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6546]
_cell_length_b [7.6546]
_cell_length_c [6.0587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [CsTbCr]
_chemical_formula_sum '[Cs3 Tb3 Cr3]'
_cell_volume [307.4414]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  3  0.0000  0.5524  0.5000  1
  Tb  Tb1  2  0.3333  0.6667  0.0000  1
  Tb  Tb2  1  0.0000  0.0000  0.5000  1
  Cr  Cr3  3  0.0000  0.2087  0.0000  1
]