data_[Sr3Se3]
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 [Pm]
_cell_length_a [17.7532]
_cell_length_b [4.7386]
_cell_length_c [17.7532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SrSe]
_chemical_formula_sum '[Sr3 Se3]'
_cell_volume [1293.4016]
_cell_formula_units_Z [3]
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  0.3526  0.0000  0.4795  1
  Sr  Sr1  1  0.5273  0.0000  0.3998  1
  Sr  Sr2  1  0.5787  0.5000  0.6007  1
  Se  Se3  1  0.3919  0.5000  0.4063  1
  Se  Se4  1  0.5108  0.0000  0.6423  1
  Se  Se5  1  0.6387  0.5000  0.4713  1
]