data_[Mg2In2Ag2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8601]
_cell_length_b [8.0807]
_cell_length_c [8.7200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgInAgBr4]
_chemical_formula_sum '[Mg2 In2 Ag2 Br8]'
_cell_volume [472.8380]
_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  0.2219  0.7500  0.3183  1
  In  In1  2  0.1977  0.2500  0.0684  1
  Ag  Ag2  2  0.2868  0.2500  0.6606  1
  Br  Br3  4  0.0252  0.0124  0.7307  1
  Br  Br4  2  0.3850  0.7500  0.0835  1
  Br  Br5  2  0.4940  0.7500  0.5603  1
]