data_[Sr4Mn2Cu2S2O6]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9126]
_cell_length_b [3.9126]
_cell_length_c [16.1031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Sr2MnCuSO3]
_chemical_formula_sum '[Sr4 Mn2 Cu2 S2 O6]'
_cell_volume [246.5140]
_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  0.0000  0.5000  0.1875  1.0
  Sr  Sr1  2  0.0000  0.5000  0.4173  1.0
  Mn  Mn2  2  0.0000  0.5000  0.6942  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.0000  0.5000  0.9136  1.0
  O  O5  4  0.0000  0.0000  0.2854  1.0
  O  O6  2  0.0000  0.5000  0.5682  1.0
]