data_[Li2Mg4In2Se8]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.5465]
_cell_length_b [7.3466]
_cell_length_c [6.8952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiMg2InSe4]
_chemical_formula_sum '[Li2 Mg4 In2 Se8]'
_cell_volume [432.9348]
_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  0.8382  0.4976  1.0
  Mg  Mg1  4  0.2481  0.6676  0.9985  1.0
  In  In2  2  0.0000  0.1706  0.9997  1.0
  Se  Se3  4  0.2457  0.6668  0.3764  1.0
  Se  Se4  2  0.0000  0.1701  0.3810  1.0
  Se  Se5  2  0.0000  0.8339  0.8720  1.0
]