data_[Sr4Mg2Os2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Os  2.2000  1.3000  0.6730
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.3925]
_cell_length_b [6.3925]
_cell_length_c [10.5081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Sr2MgOsS6]
_chemical_formula_sum '[Sr4 Mg2 Os2 S12]'
_cell_volume [429.4051]
_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
[
  Sr  Sr0  4  0.0000  0.5000  0.2500  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Os  Os2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.1591  0.6682  0.5000  1
  S  S4  4  0.0000  0.0000  0.2679  1
]