data_[Mn6Sn2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1417]
_cell_length_b [5.3232]
_cell_length_c [9.6600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mn3SnO6]
_chemical_formula_sum '[Mn6 Sn2 O12]'
_cell_volume [228.4037]
_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
[
  Mn  Mn0  4  0.2937  0.5621  0.2737  1.0
  Mn  Mn1  2  0.5000  0.0000  0.5000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.0666  0.6019  0.7266  1.0
  O  O4  4  0.3094  0.1975  0.6009  1.0
  O  O5  4  0.3887  0.6988  0.5646  1.0
]