data_[Sr12Bi2As4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3064]
_cell_length_b [4.6655]
_cell_length_c [9.2742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6BiAs2Br3]
_chemical_formula_sum '[Sr12 Bi2 As4 Br6]'
_cell_volume [858.7479]
_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  0.0126  0.0000  0.2481  1.0
  Sr  Sr1  4  0.1648  0.5000  0.1163  1.0
  Sr  Sr2  4  0.1773  0.5000  0.5657  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1677  0.0000  0.3407  1.0
  Br  Br5  4  0.1700  0.0000  0.8353  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]