data_[Mg1In2B2O6]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0942]
_cell_length_b [5.2978]
_cell_length_c [6.1560]
_cell_angle_alpha [66.0046]
_cell_angle_beta [75.5498]
_cell_angle_gamma [64.9872]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgIn2(BO3)2]
_chemical_formula_sum '[Mg1 In2 B2 O6]'
_cell_volume [136.9404]
_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  0.5000  0.0000  0.5000  1.0
  In  In1  2  0.2368  0.3505  0.8905  1.0
  B  B2  2  0.2095  0.7376  0.2850  1.0
  O  O3  2  0.0866  0.1758  0.6920  1.0
  O  O4  2  0.3438  0.9451  0.2384  1.0
  O  O5  2  0.4121  0.4608  0.2831  1.0
]