data_[Sr3La1Mn4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.4791]
_cell_length_b [5.5151]
_cell_length_c [7.8188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Sr3LaMn4O12]
_chemical_formula_sum '[Sr3 La1 Mn4 O12]'
_cell_volume [236.2538]
_cell_formula_units_Z [1]
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  1  0.0000  0.5010  0.0000  1.0
  Sr  Sr1  1  0.5000  0.9970  0.0000  1.0
  Sr  Sr2  1  0.5000  0.9999  0.5000  1.0
  La  La3  1  0.0000  0.5029  0.5000  1.0
  Mn  Mn4  2  0.0005  0.0003  0.7516  1.0
  Mn  Mn5  2  0.4999  0.5001  0.2483  1.0
  O  O6  2  0.2255  0.2746  0.2760  1.0
  O  O7  2  0.2258  0.7257  0.7625  1.0
  O  O8  2  0.2648  0.2350  0.7250  1.0
  O  O9  2  0.2689  0.7690  0.2342  1.0
  O  O10  1  0.0000  0.0373  0.0000  1.0
  O  O11  1  0.0000  0.9564  0.5000  1.0
  O  O12  1  0.5000  0.4610  0.0000  1.0
  O  O13  1  0.5000  0.5351  0.5000  1.0
]