data_[Mg6In2O8]
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 [Pmn2_1]
_cell_length_a [6.8167]
_cell_length_b [5.9264]
_cell_length_c [5.4014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Mg3InO4]
_chemical_formula_sum '[Mg6 In2 O8]'
_cell_volume [218.2059]
_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  4  0.2492  0.3357  0.5061  1
  Mg  Mg1  2  0.0000  0.8253  0.5060  1
  In  In2  2  0.0000  0.1627  0.0109  1
  O  O3  4  0.2328  0.6539  0.6335  1
  O  O4  2  0.0000  0.1601  0.5858  1
  O  O5  2  0.0000  0.8023  0.1333  1
]