data_[Mn3Sn1O8]
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]
_cell_length_a [4.5057]
_cell_length_b [5.5184]
_cell_length_c [5.0149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Mn3SnO8]
_chemical_formula_sum '[Mn3 Sn1 O8]'
_cell_volume [124.6596]
_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  0.0000  0.8461  0.0000  1.0
  Mn  Mn1  1  0.5000  0.3596  0.0000  1.0
  Mn  Mn2  1  0.5000  0.6517  0.5000  1.0
  Sn  Sn3  1  0.0000  0.1617  0.5000  1.0
  O  O4  2  0.2382  0.8785  0.3226  1.0
  O  O5  2  0.2402  0.1073  0.8469  1.0
  O  O6  2  0.2592  0.6050  0.8209  1.0
  O  O7  2  0.2824  0.3997  0.3185  1.0
]