data_[Na4Sr4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1036]
_cell_length_b [4.2085]
_cell_length_c [22.8675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NaSrSe]
_chemical_formula_sum '[Na4 Sr4 Se4]'
_cell_volume [394.9287]
_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
[
  Na  Na0  2  0.0000  0.5000  0.3848  1
  Na  Na1  2  0.0000  0.5000  0.8026  1
  Sr  Sr2  2  0.0000  0.0000  0.0266  1
  Sr  Sr3  2  0.0000  0.5000  0.1894  1
  Se  Se4  2  0.0000  0.0000  0.4783  1
  Se  Se5  2  0.0000  0.5000  0.6416  1
]