data_[Sr2Y2B2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1797]
_cell_length_b [6.3090]
_cell_length_c [7.9881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrYBS4]
_chemical_formula_sum '[Sr2 Y2 B2 S8]'
_cell_volume [297.2169]
_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  2  0.2807  0.2500  0.0714  1.0
  Y  Y1  2  0.2289  0.2500  0.5528  1.0
  B  B2  2  0.2178  0.7500  0.3108  1.0
  S  S3  4  0.0171  0.5093  0.2645  1.0
  S  S4  2  0.3920  0.7500  0.5587  1.0
  S  S5  2  0.4067  0.7500  0.1520  1.0
]