data_[K4Mg8In4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8212]
_cell_length_b [13.8170]
_cell_length_c [14.1787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KMg2InS4]
_chemical_formula_sum '[K4 Mg8 In4 S16]'
_cell_volume [748.5998]
_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
[
  K  K0  4  0.0000  0.1317  0.7500  1
  Mg  Mg1  8  0.0000  0.3782  0.5346  1
  In  In2  4  0.0000  0.1488  0.2500  1
  S  S3  8  0.0000  0.2388  0.1012  1
  S  S4  4  0.0000  0.0000  0.0000  1
  S  S5  4  0.0000  0.4614  0.7500  1
]