data_[Sr2Sn2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.4086]
_cell_length_b [4.3295]
_cell_length_c [11.9730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [SrSnSe2]
_chemical_formula_sum '[Sr2 Sn2 Se4]'
_cell_volume [228.5279]
_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  0.5000  0.1842  0.1086  1
  Sn  Sn1  2  0.0000  0.3632  0.8684  1
  Se  Se2  2  0.0000  0.3149  0.6461  1
  Se  Se3  2  0.5000  0.2188  0.3769  1
]