data_K2MgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MgBr
_chemical_formula_sum   'K2 Mg1 Br1'
_cell_volume   157.39
_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  K1  1  0.09  0.25  0.09  1.0
  K  K2  1  0.09  0.75  0.09  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.19  0.0  0.0  1.0

data_K2MgBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   94.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MgBr
_chemical_formula_sum   'K2 Mg1 Br1'
_cell_volume   157.39
_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  0.09  0.09  0.75  1.0
  K  K1  1  0.09  0.09  0.25  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.19  0.0  1.0

K K Mg Br