data_[Li2Mn4Sn2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.4061]
_cell_length_b [7.4550]
_cell_length_c [6.8814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiMn2SnSe4]
_chemical_formula_sum '[Li2 Mn4 Sn2 Se8]'
_cell_volume [431.2359]
_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
[
  Li  Li0  2  0.0000  0.1617  0.9993  1.0
  Mn  Mn1  4  0.2500  0.3410  0.4990  1.0
  Sn  Sn2  2  0.0000  0.8361  0.4973  1.0
  Se  Se3  4  0.2393  0.3439  0.8670  1.0
  Se  Se4  2  0.0000  0.1886  0.3749  1.0
  Se  Se5  2  0.0000  0.8241  0.8965  1.0
]