data_[Ca4La4Mn8O24]
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 [Pm]
_cell_length_a [5.5270]
_cell_length_b [7.6732]
_cell_length_c [11.0580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CaLaMn2O6]
_chemical_formula_sum '[Ca4 La4 Mn8 O24]'
_cell_volume [468.9532]
_cell_formula_units_Z [4]
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  1  0.0090  0.5000  0.5185  1
  Ca  Ca1  1  0.4788  0.5000  0.2687  1
  Ca  Ca2  1  0.5183  0.0000  0.7366  1
  Ca  Ca3  1  0.9874  0.0000  0.9827  1
  La  La4  1  0.0053  0.5000  0.0113  1
  La  La5  1  0.4969  0.0000  0.2353  1
  La  La6  1  0.5062  0.5000  0.7579  1
  La  La7  1  0.9975  0.0000  0.4898  1
  Mn  Mn8  2  0.0080  0.2449  0.7498  1
  Mn  Mn9  2  0.4996  0.2535  0.4995  1
  Mn  Mn10  2  0.5008  0.2467  0.9994  1
  Mn  Mn11  2  0.9917  0.2556  0.2513  1
  O  O12  2  0.2077  0.2897  0.3888  1
  O  O13  2  0.2350  0.2943  0.8863  1
  O  O14  2  0.2652  0.2895  0.1423  1
  O  O15  2  0.2849  0.2855  0.6369  1
  O  O16  2  0.7144  0.2110  0.3609  1
  O  O17  2  0.7368  0.2154  0.8604  1
  O  O18  2  0.7714  0.2041  0.1098  1
  O  O19  2  0.7854  0.2132  0.6153  1
  O  O20  1  0.0612  0.0000  0.2624  1
  O  O21  1  0.0909  0.0000  0.7560  1
  O  O22  1  0.4141  0.0000  0.0058  1
  O  O23  1  0.4340  0.0000  0.5024  1
  O  O24  1  0.5707  0.5000  0.9943  1
  O  O25  1  0.5805  0.5000  0.4968  1
  O  O26  1  0.9042  0.5000  0.2360  1
  O  O27  1  0.9431  0.5000  0.7443  1
]