data_[Mn2V1In1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1772]
_cell_length_b [5.2801]
_cell_length_c [5.6236]
_cell_angle_alpha [117.7504]
_cell_angle_beta [90.0206]
_cell_angle_gamma [117.7817]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn2VInO6]
_chemical_formula_sum '[Mn2 V1 In1 O6]'
_cell_volume [115.6330]
_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
[
  Mn  Mn0  1  0.0214  0.0327  0.0415  1.0
  Mn  Mn1  1  0.5281  0.0532  0.5816  1.0
  V  V2  1  0.3227  0.6257  0.9552  1.0
  In  In3  1  0.8152  0.6069  0.4127  1.0
  O  O4  1  0.1286  0.8443  0.2297  1.0
  O  O5  1  0.2002  0.8136  0.7605  1.0
  O  O6  1  0.4096  0.5369  0.2414  1.0
  O  O7  1  0.5649  0.5274  0.7468  1.0
  O  O8  1  0.7217  0.1087  0.2320  1.0
  O  O9  1  0.9492  0.1738  0.7835  1.0
]