data_[Cs1Tm1Mg2Br8]
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
  Mg  1.3100  1.5000  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9971]
_cell_length_b [7.0953]
_cell_length_c [9.9008]
_cell_angle_alpha [72.2844]
_cell_angle_beta [74.2924]
_cell_angle_gamma [72.2428]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTmMg2Br8]
_chemical_formula_sum '[Cs1 Tm1 Mg2 Br8]'
_cell_volume [437.2646]
_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  0.0000  0.0000  0.5000  1.0
  Tm  Tm1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.4554  0.4487  0.7141  1.0
  Br  Br3  2  0.1800  0.7092  0.2239  1.0
  Br  Br4  2  0.2681  0.7899  0.7996  1.0
  Br  Br5  2  0.2689  0.2360  0.9557  1.0
  Br  Br6  2  0.3818  0.3006  0.5325  1.0
]