data_[Sr6Ca2Mn4S4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9739]
_cell_length_b [3.9739]
_cell_length_c [28.7600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Sr3CaMn2S2O5]
_chemical_formula_sum '[Sr6 Ca2 Mn4 S4 O10]'
_cell_volume [454.1794]
_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  0.3692  1.0
  Sr  Sr1  2  0.0000  0.0000  0.5000  1.0
  Ca  Ca2  2  0.0000  0.5000  0.7500  1.0
  Mn  Mn3  4  0.0000  0.0000  0.0682  1.0
  S  S4  4  0.0000  0.0000  0.1848  1.0
  O  O5  4  0.0000  0.5000  0.0751  1.0
  O  O6  4  0.0000  0.5000  0.5753  1.0
  O  O7  2  0.0000  0.0000  0.0000  1.0
]