data_[Sr12Te10Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1520]
_cell_length_b [14.1170]
_cell_length_c [8.1461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6Te5Br]
_chemical_formula_sum '[Sr12 Te10 Br2]'
_cell_volume [884.2383]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  8  0.2451  0.3303  0.7450  1
  Sr  Sr1  4  0.2450  0.5000  0.2516  1
  Te  Te2  4  0.0000  0.1636  0.5000  1
  Te  Te3  4  0.0000  0.3325  0.0000  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  Br  Br5  2  0.0000  0.0000  0.0000  1
]