data_[K2Mg2Cu2S4]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.1451]
_cell_length_b [5.3691]
_cell_length_c [6.5778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [KMgCuS2]
_chemical_formula_sum '[K2 Mg2 Cu2 S4]'
_cell_volume [243.1352]
_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  0.5000  0.2205  0.7500  1.0
  Mg  Mg1  2  0.0000  0.4945  0.2500  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.2181  0.2868  0.0612  1.0
]