data_[Sm2Mn1Co1S2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.8070]
_cell_length_b [3.8070]
_cell_length_c [11.3514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sm2MnCo(SO)2]
_chemical_formula_sum '[Sm2 Mn1 Co1 S2 O2]'
_cell_volume [142.4805]
_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
[
  Sm  Sm0  1  0.3333  0.6667  0.7264  1
  Sm  Sm1  1  0.6667  0.3333  0.2561  1
  Mn  Mn2  1  0.0000  0.0000  0.0057  1
  Co  Co3  1  0.0000  0.0000  0.4872  1
  S  S4  1  0.3333  0.6667  0.4159  1
  S  S5  1  0.6667  0.3333  0.8911  1
  O  O6  1  0.0000  0.0000  0.1802  1
  O  O7  1  0.0000  0.0000  0.6620  1
]