data_[Sr4Li4Y4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7392]
_cell_length_b [4.1360]
_cell_length_c [8.6636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrLiYSe3]
_chemical_formula_sum '[Sr4 Li4 Y4 Se12]'
_cell_volume [616.0738]
_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
[
  Sr  Sr0  4  0.1334  0.0000  0.5644  1
  Li  Li1  4  0.0060  0.5000  0.2009  1
  Y  Y2  4  0.1659  0.0000  0.0864  1
  Se  Se3  4  0.1669  0.5000  0.8555  1
  Se  Se4  4  0.1756  0.5000  0.3167  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]