data_[Mn1Cr2In1O6]
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 [5.1994]
_cell_length_b [5.2102]
_cell_length_c [5.5128]
_cell_angle_alpha [62.0014]
_cell_angle_beta [63.2862]
_cell_angle_gamma [61.2551]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnCr2InO6]
_chemical_formula_sum '[Mn1 Cr2 In1 O6]'
_cell_volume [110.6796]
_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  0.3155  0.3120  0.0558  1.0
  Cr  Cr1  1  0.0097  0.0112  0.9623  1.0
  Cr  Cr2  1  0.5176  0.5183  0.4459  1.0
  In  In3  1  0.8057  0.8002  0.5893  1.0
  O  O4  1  0.1450  0.3823  0.7538  1.0
  O  O5  1  0.2366  0.9129  0.2387  1.0
  O  O6  1  0.3838  0.7130  0.7633  1.0
  O  O7  1  0.6152  0.2382  0.2325  1.0
  O  O8  1  0.7387  0.1403  0.7308  1.0
  O  O9  1  0.8938  0.6331  0.2428  1.0
]