data_[Y8Mn4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmc2_1]
_cell_length_a [3.7980]
_cell_length_b [12.4038]
_cell_length_c [12.8966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y2MnS4]
_chemical_formula_sum '[Y8 Mn4 S16]'
_cell_volume [607.5553]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.0000  0.1389  0.9180  1.0
  Y  Y1  4  0.0000  0.3816  0.7142  1.0
  Mn  Mn2  4  0.0000  0.1260  0.5539  1.0
  S  S3  4  0.0000  0.0384  0.7305  1.0
  S  S4  4  0.0000  0.2081  0.3653  1.0
  S  S5  4  0.0000  0.2413  0.1043  1.0
  S  S6  4  0.0000  0.4878  0.5058  1.0
]