data_[Sr8As4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [24.2278]
_cell_length_b [4.3098]
_cell_length_c [8.8419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr4As2Br5]
_chemical_formula_sum '[Sr8 As4 Br10]'
_cell_volume [922.7830]
_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  0.0155  0.0000  0.2643  1.0
  Sr  Sr1  4  0.1713  0.5000  0.4155  1.0
  As  As2  4  0.0482  0.5000  0.5395  1.0
  Br  Br3  4  0.1386  0.0000  0.1866  1.0
  Br  Br4  4  0.2036  0.0000  0.6480  1.0
  Br  Br5  2  0.0000  0.5000  0.0000  1.0
]