data_La3MnFeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.26
_cell_length_b   10.26
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3MnFeS7
_chemical_formula_sum   'La6 Mn2 Fe2 S14'
_cell_volume   550.38
_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
  La  La0  1  0.61  0.09  0.45  1.0
  La  La1  1  0.99  0.64  0.47  1.0
  La  La2  1  0.49  0.34  0.47  1.0
  La  La3  1  0.64  0.54  0.45  1.0
  La  La4  1  0.14  0.25  0.45  1.0
  La  La5  1  0.52  0.79  0.47  1.0
  Mn  Mn6  1  0.0  0.0  0.1  1.0
  Mn  Mn7  1  0.0  0.0  0.12  1.0
  Fe  Fe8  1  0.0  0.92  0.94  1.0
  Fe  Fe9  1  0.13  0.96  0.96  1.0
  S  S10  1  0.0  0.92  0.18  1.0
  S  S11  1  0.13  0.96  0.16  1.0
  S  S12  1  0.46  0.89  0.11  1.0
  S  S13  1  0.96  0.18  0.09  1.0
  S  S14  1  0.38  0.6  0.09  1.0
  S  S15  1  0.75  0.28  0.11  1.0
  S  S16  1  0.17  0.71  0.11  1.0
  S  S17  1  0.67  0.99  0.09  1.0
  S  S18  1  0.6  0.3  0.7  1.0
  S  S19  1  0.18  0.1  0.68  1.0
  S  S20  1  0.52  0.59  0.68  1.0
  S  S21  1  0.95  0.78  0.7  1.0
  S  S22  1  0.83  0.8  0.7  1.0
  S  S23  1  0.3  0.08  0.68  1.0

data_La3MnFeS7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.04
_cell_length_b   10.26
_cell_length_c   10.26
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3MnFeS7
_chemical_formula_sum   'La6 Mn2 Fe2 S14'
_cell_volume   550.38
_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
  La  La0  1  0.45  0.14  0.25  1.0
  La  La1  1  0.45  0.61  0.09  1.0
  La  La2  1  0.45  0.64  0.54  1.0
  La  La3  1  0.47  0.49  0.34  1.0
  La  La4  1  0.47  0.52  0.79  1.0
  La  La5  1  0.47  0.99  0.64  1.0
  Mn  Mn6  1  0.1  0.0  0.0  1.0
  Mn  Mn7  1  0.12  0.0  0.0  1.0
  Fe  Fe8  1  0.94  -0.0  0.92  1.0
  Fe  Fe9  1  0.96  0.13  0.96  1.0
  S  S10  1  0.09  0.38  0.6  1.0
  S  S11  1  0.09  0.67  0.99  1.0
  S  S12  1  0.09  0.96  0.18  1.0
  S  S13  1  0.11  0.17  0.71  1.0
  S  S14  1  0.11  0.46  0.89  1.0
  S  S15  1  0.11  0.75  0.28  1.0
  S  S16  1  0.16  0.13  0.96  1.0
  S  S17  1  0.18  -0.0  0.92  1.0
  S  S18  1  0.68  0.18  0.1  1.0
  S  S19  1  0.68  0.3  0.08  1.0
  S  S20  1  0.68  0.52  0.59  1.0
  S  S21  1  0.7  0.6  0.3  1.0
  S  S22  1  0.7  0.83  0.8  1.0
  S  S23  1  0.7  0.95  0.78  1.0

La La La La La La Mn Mn Fe Fe S S S S S S S S S S S S S S