data_Mg2BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   4.2
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   94.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2BrCl
_chemical_formula_sum   'Mg2 Br1 Cl1'
_cell_volume   106.99
_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
  Mg  Mg2  1  0.21  0.1  0.15  1.0
  Mg  Mg3  1  0.37  0.1  0.14  1.0
  Br  Br0  1  0.79  0.0  0.15  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Mg2BrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.2
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   94.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2BrCl
_chemical_formula_sum   'Mg2 Br1 Cl1'
_cell_volume   106.99
_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
  Mg  Mg0  1  0.21  0.1  0.15  1.0
  Mg  Mg1  1  0.37  0.1  0.14  1.0
  Br  Br2  1  0.79  0.0  0.15  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Mg Mg Br Cl