data_[K2Y2Mg2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7079]
_cell_length_b [4.1113]
_cell_length_c [9.8129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KYMgS3]
_chemical_formula_sum '[K2 Y2 Mg2 S6]'
_cell_volume [335.8012]
_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
[
  K  K0  2  0.2015  0.2500  0.2132  1.0
  Y  Y1  2  0.3340  0.7500  0.8636  1.0
  Mg  Mg2  2  0.0846  0.2500  0.6093  1.0
  S  S3  2  0.1169  0.2500  0.8603  1.0
  S  S4  2  0.1999  0.7500  0.5463  1.0
  S  S5  2  0.4599  0.7500  0.1492  1.0
]