data_[Li2Mn4Ni2Se8]
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
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.0623]
_cell_length_b [6.9701]
_cell_length_c [6.5936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiMn2NiSe4]
_chemical_formula_sum '[Li2 Mn4 Ni2 Se8]'
_cell_volume [370.5234]
_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  0.8376  0.5034  1.0
  Mn  Mn1  4  0.2499  0.3343  0.4998  1.0
  Ni  Ni2  2  0.0000  0.1714  0.9999  1.0
  Se  Se3  4  0.2353  0.3324  0.8728  1.0
  Se  Se4  2  0.0000  0.1813  0.3560  1.0
  Se  Se5  2  0.0000  0.8461  0.8954  1.0
]