data_[K1La1Mg2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9570]
_cell_length_b [6.9578]
_cell_length_c [9.5065]
_cell_angle_alpha [80.5003]
_cell_angle_beta [80.1584]
_cell_angle_gamma [80.4838]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KLaMg2Br8]
_chemical_formula_sum '[K1 La1 Mg2 Br8]'
_cell_volume [442.7004]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  La  La1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.4548  0.4578  0.7064  1.0
  Br  Br3  2  0.2119  0.7620  0.2310  1.0
  Br  Br4  2  0.2536  0.8018  0.7649  1.0
  Br  Br5  2  0.2728  0.2904  0.9524  1.0
  Br  Br6  2  0.3200  0.3357  0.5085  1.0
]