data_[Ca3La1Mn2Ir2O12]
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
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5135]
_cell_length_b [5.7186]
_cell_length_c [7.8717]
_cell_angle_alpha [90.1081]
_cell_angle_beta [90.1265]
_cell_angle_gamma [90.0299]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ca3LaMn2(IrO6)2]
_chemical_formula_sum '[Ca3 La1 Mn2 Ir2 O12]'
_cell_volume [248.1891]
_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
[
  Ca  Ca0  1  0.4837  0.4414  0.7491  1.0
  Ca  Ca1  1  0.5163  0.5566  0.2514  1.0
  Ca  Ca2  1  0.9855  0.0599  0.2487  1.0
  La  La3  1  0.0115  0.9457  0.7507  1.0
  Mn  Mn4  1  0.5009  0.0002  0.4929  1.0
  Mn  Mn5  1  0.9995  0.4982  0.0060  1.0
  Ir  Ir6  1  0.0005  0.4993  0.4964  1.0
  Ir  Ir7  1  0.5000  0.0001  0.0045  1.0
  O  O8  1  0.1054  0.4641  0.2584  1.0
  O  O9  1  0.1929  0.2130  0.5513  1.0
  O  O10  1  0.2074  0.1965  0.9546  1.0
  O  O11  1  0.2904  0.6952  0.5532  1.0
  O  O12  1  0.3098  0.7133  0.9430  1.0
  O  O13  1  0.3968  0.9582  0.2421  1.0
  O  O14  1  0.5884  0.0349  0.7571  1.0
  O  O15  1  0.6871  0.2884  0.0569  1.0
  O  O16  1  0.7092  0.3061  0.4481  1.0
  O  O17  1  0.7984  0.8101  0.0460  1.0
  O  O18  1  0.8171  0.7935  0.4478  1.0
  O  O19  1  0.8992  0.5253  0.7419  1.0
]