data_[La3Sm1Cr4O12]
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 [5.5443]
_cell_length_b [7.8588]
_cell_length_c [5.5891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La3SmCr4O12]
_chemical_formula_sum '[La3 Sm1 Cr4 O12]'
_cell_volume [243.5251]
_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  0.0083  0.5000  0.0360  1.0
  La  La1  1  0.4932  0.5000  0.5334  1.0
  La  La2  1  0.9931  0.0000  0.9638  1.0
  Sm  Sm3  1  0.5112  0.0000  0.4521  1.0
  Cr  Cr4  2  0.0006  0.2476  0.5006  1.0
  Cr  Cr5  2  0.4994  0.2483  0.9985  1.0
  O  O6  2  0.2080  0.2921  0.7915  1.0
  O  O7  2  0.2900  0.2905  0.2900  1.0
  O  O8  2  0.7060  0.2011  0.7064  1.0
  O  O9  2  0.7853  0.2034  0.2146  1.0
  O  O10  1  0.0947  0.0000  0.5175  1.0
  O  O11  1  0.4196  0.0000  0.0284  1.0
  O  O12  1  0.5806  0.5000  0.9820  1.0
  O  O13  1  0.9206  0.5000  0.4836  1.0
]