data_[Sr8Mn6Cu4S4O16]
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 [I4/mmm]
_cell_length_a [3.8768]
_cell_length_b [3.8768]
_cell_length_c [34.5502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sr4Mn3Cu2(SO4)2]
_chemical_formula_sum '[Sr8 Mn6 Cu4 S4 O16]'
_cell_volume [519.2733]
_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  4  0.0000  0.0000  0.3332  1
  Sr  Sr1  4  0.0000  0.0000  0.4464  1
  Mn  Mn2  4  0.0000  0.0000  0.1129  1
  Mn  Mn3  2  0.0000  0.0000  0.0000  1
  Cu  Cu4  4  0.0000  0.5000  0.2500  1
  S  S5  4  0.0000  0.0000  0.2098  1
  O  O6  8  0.0000  0.5000  0.1216  1
  O  O7  4  0.0000  0.0000  0.0566  1
  O  O8  4  0.0000  0.5000  0.0000  1
]