data_[Sr2Ca2Ti2Mn2O12]
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
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.4682]
_cell_length_b [5.4539]
_cell_length_c [7.7036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [SrCaTiMnO6]
_chemical_formula_sum '[Sr2 Ca2 Ti2 Mn2 O12]'
_cell_volume [229.7407]
_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  0.2537  0.4878  0.4995  1.0
  Ca  Ca1  2  0.2471  0.5185  0.0003  1.0
  Ti  Ti2  2  0.2519  0.0001  0.7549  1.0
  Mn  Mn3  2  0.2512  0.0000  0.2461  1.0
  O  O4  2  0.0162  0.2717  0.7859  1.0
  O  O5  2  0.0233  0.2672  0.2146  1.0
  O  O6  2  0.2052  0.0019  0.4972  1.0
  O  O7  2  0.3129  0.9911  0.0028  1.0
  O  O8  2  0.4790  0.7334  0.2705  1.0
  O  O9  2  0.4835  0.7283  0.7293  1.0
]