data_[Sr12Te2P4Br6]
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
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7903]
_cell_length_b [4.5300]
_cell_length_c [9.1494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6TeP2Br3]
_chemical_formula_sum '[Sr12 Te2 P4 Br6]'
_cell_volume [799.9876]
_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  4  0.0142  0.0000  0.2568  1.0
  Sr  Sr1  4  0.1688  0.5000  0.1200  1.0
  Sr  Sr2  4  0.1766  0.5000  0.5609  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1675  0.0000  0.3356  1.0
  Br  Br5  4  0.1638  0.0000  0.8346  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]