data_[Li4Mg2Sn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  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 [8.3274]
_cell_length_b [7.3964]
_cell_length_c [6.8652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2MgSnSe4]
_chemical_formula_sum '[Li4 Mg2 Sn2 Se8]'
_cell_volume [422.8455]
_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  4  0.2473  0.6703  0.0009  1.0
  Mg  Mg1  2  0.0000  0.8447  0.4946  1.0
  Sn  Sn2  2  0.0000  0.1663  0.0003  1.0
  Se  Se3  4  0.2483  0.3382  0.8765  1.0
  Se  Se4  2  0.0000  0.1757  0.3747  1.0
  Se  Se5  2  0.0000  0.8401  0.8756  1.0
]