data_[Li8Mg4As4Se16]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3355]
_cell_length_b [8.0172]
_cell_length_c [11.0353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Li2MgAsSe4]
_chemical_formula_sum '[Li8 Mg4 As4 Se16]'
_cell_volume [648.9868]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.5000  1.0
  Li  Li1  4  0.2500  0.2500  0.2500  1.0
  Mg  Mg2  4  0.0000  0.0000  0.0000  1.0
  As  As3  4  0.2500  0.2500  0.7500  1.0
  Se  Se4  8  0.0000  0.0091  0.7502  1.0
  Se  Se5  8  0.2494  0.2500  0.9942  1.0
]