data_[Sr2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.3547]
_cell_length_b [7.5114]
_cell_length_c [7.6102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.1650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [SrSe3]
_chemical_formula_sum '[Sr2 Se6]'
_cell_volume [237.3235]
_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
[
  Sr  Sr0  2  0.0169  0.2576  0.9997  1.0
  Se  Se1  2  0.0263  0.2933  0.4657  1.0
  Se  Se2  2  0.3297  0.0957  0.7854  1.0
  Se  Se3  2  0.6270  0.4003  0.4931  1.0
]