data_[Mg2In2O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.9030]
_cell_length_b [5.6726]
_cell_length_c [7.1521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgInO]
_chemical_formula_sum '[Mg2 In2 O2]'
_cell_volume [115.9844]
_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  0.5000  0.0000  0.5000  1
  In  In1  2  0.1898  0.7500  0.9252  1
  O  O2  2  0.0068  0.7500  0.5155  1
]