data_[Sr2Y2Mn2S8]
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
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6038]
_cell_length_b [6.1834]
_cell_length_c [8.1987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrYMnS4]
_chemical_formula_sum '[Sr2 Y2 Mn2 S8]'
_cell_volume [319.5279]
_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  0.2601  0.7500  0.0613  1.0
  Y  Y1  2  0.2411  0.7500  0.5591  1.0
  Mn  Mn2  2  0.2363  0.2500  0.3199  1.0
  S  S3  4  0.0102  0.0082  0.7295  1.0
  S  S4  2  0.4317  0.2500  0.1343  1.0
  S  S5  2  0.4369  0.2500  0.5946  1.0
]