data_[Sr1Mn1S1O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9691]
_cell_length_b [3.9691]
_cell_length_c [6.1269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SrMnSO]
_chemical_formula_sum '[Sr1 Mn1 S1 O1]'
_cell_volume [83.5892]
_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
[
  Sr  Sr0  1  0.6667  0.3333  0.2550  1.0
  Mn  Mn1  1  0.0000  0.0000  0.7849  1.0
  S  S2  1  0.3333  0.6667  0.6131  1.0
  O  O3  1  0.0000  0.0000  0.1079  1.0
]