data_[Ca2La2Mn4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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_1/m]
_cell_length_a [5.5584]
_cell_length_b [7.5938]
_cell_length_c [5.5659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaLaMn2O6]
_chemical_formula_sum '[Ca2 La2 Mn4 O12]'
_cell_volume [234.6468]
_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
[
  Ca  Ca0  2  0.0121  0.2500  0.4624  1.0
  La  La1  2  0.4982  0.2500  0.9691  1.0
  Mn  Mn2  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn3  2  0.5000  0.0000  0.5000  1.0
  O  O4  4  0.2354  0.0432  0.7101  1.0
  O  O5  4  0.2886  0.0352  0.2151  1.0
  O  O6  2  0.0639  0.7500  0.9771  1.0
  O  O7  2  0.4117  0.7500  0.4915  1.0
]