data_[Sr2Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.7442]
_cell_length_b [7.7752]
_cell_length_c [7.0152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SrGeBr4]
_chemical_formula_sum '[Sr2 Ge2 Br8]'
_cell_volume [476.9493]
_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  2  0.0000  0.9746  0.0613  1
  Ge  Ge1  2  0.0000  0.3683  0.4713  1
  Br  Br2  4  0.2339  0.1716  0.3191  1
  Br  Br3  2  0.0000  0.3210  0.8374  1
  Br  Br4  2  0.0000  0.7008  0.3639  1
]