data_[K1Cu3Mo1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [5.8771]
_cell_length_b [5.8771]
_cell_length_c [5.8771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [215]
_chemical_formula_structural [KCu3MoS4]
_chemical_formula_sum '[K1 Cu3 Mo1 S4]'
_cell_volume [202.9965]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Cu  Cu1  3  0.0000  0.5000  0.5000  1
  Mo  Mo2  1  0.5000  0.5000  0.5000  1
  S  S3  4  0.2760  0.2760  0.2760  1
]