data_[Li3Mn4Sn1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P-1]
_cell_length_a [6.2190]
_cell_length_b [6.2280]
_cell_length_c [6.2401]
_cell_angle_alpha [60.2049]
_cell_angle_beta [60.7118]
_cell_angle_gamma [60.4268]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3Mn4SnO8]
_chemical_formula_sum '[Li3 Mn4 Sn1 O8]'
_cell_volume [172.6258]
_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
[
  Li  Li0  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  1  0.0000  0.5000  0.0000  1.0
  Li  Li2  1  0.5000  0.0000  0.0000  1.0
  Mn  Mn3  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn4  1  0.0000  0.5000  0.5000  1.0
  Mn  Mn5  1  0.5000  0.0000  0.5000  1.0
  Mn  Mn6  1  0.5000  0.5000  0.5000  1.0
  Sn  Sn7  1  0.5000  0.5000  0.0000  1.0
  O  O8  2  0.2463  0.7257  0.7737  1.0
  O  O9  2  0.2630  0.7392  0.2368  1.0
  O  O10  2  0.2754  0.2242  0.7212  1.0
  O  O11  2  0.2781  0.2403  0.2585  1.0
]