data_[Sr4Mn4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4267]
_cell_length_b [7.9921]
_cell_length_c [7.5388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrMnSe2]
_chemical_formula_sum '[Sr4 Mn4 Se8]'
_cell_volume [442.3649]
_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
[
  Sr  Sr0  4  0.1934  0.0746  0.8079  1.0
  Mn  Mn1  4  0.3272  0.6659  0.7772  1.0
  Se  Se2  4  0.1082  0.7291  0.0021  1.0
  Se  Se3  4  0.4152  0.1246  0.2001  1.0
]