data_[Mn2Fe1Sn1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1989]
_cell_length_b [5.2514]
_cell_length_c [5.5882]
_cell_angle_alpha [92.0311]
_cell_angle_beta [116.9942]
_cell_angle_gamma [117.4339]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn2FeSnO6]
_chemical_formula_sum '[Mn2 Fe1 Sn1 O6]'
_cell_volume [114.7423]
_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  0.0285  0.0104  0.0429  1
  Mn  Mn1  1  0.0376  0.5149  0.5507  1
  Fe  Fe2  1  0.6110  0.8123  0.4219  1
  Sn  Sn3  1  0.6256  0.3174  0.9394  1
  O  O4  1  0.1139  0.3888  0.2508  1
  O  O5  1  0.1470  0.2490  0.7492  1
  O  O6  1  0.4950  0.1160  0.2317  1
  O  O7  1  0.5542  0.9209  0.7635  1
  O  O8  1  0.8550  0.7121  0.2702  1
  O  O9  1  0.8555  0.6198  0.7645  1
]