data_[Sr1Li2Se1]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5008]
_cell_length_b [4.3665]
_cell_length_c [5.8964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrLi2Se]
_chemical_formula_sum '[Sr1 Li2 Se1]'
_cell_volume [110.2275]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Li  Li1  2  0.1026  0.0000  0.3003  1
  Se  Se2  1  0.0000  0.5000  0.5000  1
]