data_[K4Sr2Mg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6883]
_cell_length_b [8.0323]
_cell_length_c [13.4127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2SrMgBr6]
_chemical_formula_sum '[K4 Sr2 Mg2 Br12]'
_cell_volume [682.0097]
_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
[
  K  K0  4  0.2236  0.5721  0.7481  1.0
  Sr  Sr1  2  0.5000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1261  0.7156  0.4445  1.0
  Br  Br4  4  0.2351  0.1865  0.4487  1.0
  Br  Br5  4  0.3376  0.5287  0.2335  1.0
]