data_[Tm4Te4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5866]
_cell_length_b [7.1284]
_cell_length_c [6.9665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmTeBrO4]
_chemical_formula_sum '[Tm4 Te4 Br4 O16]'
_cell_volume [503.8056]
_cell_formula_units_Z [4]
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
[
  Tm  Tm0  4  0.2305  0.0000  0.1188  1
  Te  Te1  4  0.1345  0.5000  0.2692  1
  Br  Br2  4  0.0064  0.0000  0.7576  1
  O  O3  8  0.2048  0.3126  0.1436  1
  O  O4  4  0.0450  0.5000  0.8041  1
  O  O5  4  0.2062  0.5000  0.5393  1
]