data_[Mn1Cr1In2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2642]
_cell_length_b [5.3737]
_cell_length_c [5.5306]
_cell_angle_alpha [62.6116]
_cell_angle_beta [89.9823]
_cell_angle_gamma [61.6388]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnCrIn2O6]
_chemical_formula_sum '[Mn1 Cr1 In2 O6]'
_cell_volume [117.3749]
_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  0.8134  0.3748  0.4445  1.0
  Cr  Cr1  1  0.3168  0.3671  0.9521  1.0
  In  In2  1  0.0269  0.9416  0.0827  1.0
  In  In3  1  0.5320  0.9330  0.5888  1.0
  O  O4  1  0.0939  0.4592  0.2378  1.0
  O  O5  1  0.2063  0.8369  0.7515  1.0
  O  O6  1  0.4334  0.8858  0.2255  1.0
  O  O7  1  0.6017  0.2098  0.7330  1.0
  O  O8  1  0.6942  0.2096  0.2395  1.0
  O  O9  1  0.9431  0.4590  0.7296  1.0
]