data_[Mg2H2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.6111]
_cell_length_b [3.9413]
_cell_length_c [7.1608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgHBr2]
_chemical_formula_sum '[Mg2 H2 Br4]'
_cell_volume [210.3007]
_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
[
  Mg  Mg0  2  0.2970  0.0000  0.9278  1
  H  H1  2  0.4802  0.0000  0.7818  1
  Br  Br2  2  0.0341  0.0000  0.1221  1
  Br  Br3  2  0.1887  0.5000  0.6683  1
]