data_[La1Sm3Cr4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4599]
_cell_length_b [7.7915]
_cell_length_c [5.6105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaSm3Cr4O12]
_chemical_formula_sum '[La1 Sm3 Cr4 O12]'
_cell_volume [238.6796]
_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
[
  La  La0  1  0.5101  0.5000  0.5442  1.0
  Sm  Sm1  1  0.0134  0.0000  0.9463  1.0
  Sm  Sm2  1  0.4851  0.0000  0.4430  1.0
  Sm  Sm3  1  0.9853  0.5000  0.0542  1.0
  Cr  Cr4  2  0.5008  0.2482  0.9983  1.0
  Cr  Cr5  2  0.9993  0.2475  0.5006  1.0
  O  O6  2  0.2062  0.1972  0.2070  1.0
  O  O7  2  0.2959  0.1961  0.7052  1.0
  O  O8  2  0.7077  0.2955  0.2905  1.0
  O  O9  2  0.8010  0.2975  0.7991  1.0
  O  O10  1  0.0823  0.5000  0.4706  1.0
  O  O11  1  0.4032  0.5000  0.9805  1.0
  O  O12  1  0.5972  0.0000  0.0286  1.0
  O  O13  1  0.9012  0.0000  0.5312  1.0
]