data_[Cs1Tm1Cr1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  Cr  1.6600  1.4000  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.0923]
_cell_length_b [7.0923]
_cell_length_c [8.2297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [CsTmCrBr6]
_chemical_formula_sum '[Cs1 Tm1 Cr1 Br6]'
_cell_volume [358.4945]
_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
[
  Cs  Cs0  1  0.3333  0.6667  0.0000  1.0
  Tm  Tm1  1  0.0000  0.0000  0.5000  1.0
  Cr  Cr2  1  0.6667  0.3333  0.5000  1.0
  Br  Br3  6  0.3433  0.0457  0.6910  1.0
]