data_[Li4Mg4In8Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0990]
_cell_length_b [18.8904]
_cell_length_c [14.4078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiMgIn2Br5]
_chemical_formula_sum '[Li4 Mg4 In8 Br20]'
_cell_volume [1115.6138]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.4361  0.4428  1.0
  Mg  Mg1  4  0.0000  0.2104  0.0239  1.0
  In  In2  4  0.0000  0.1007  0.6635  1.0
  In  In3  4  0.0000  0.1279  0.3113  1.0
  Br  Br4  4  0.0000  0.0663  0.0452  1.0
  Br  Br5  4  0.0000  0.2779  0.6502  1.0
  Br  Br6  4  0.0000  0.3044  0.3974  1.0
  Br  Br7  4  0.0000  0.3517  0.9987  1.0
  Br  Br8  4  0.0000  0.4998  0.7911  1.0
]