data_[K8Mg2V4Cu4S16]
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
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.5843]
_cell_length_b [23.0983]
_cell_length_c [7.0343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [K4MgV2(CuS4)2]
_chemical_formula_sum '[K8 Mg2 V4 Cu4 S16]'
_cell_volume [844.4980]
_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  0.0000  0.1982  0.0000  1.0
  K  K1  2  0.0000  0.4432  0.5000  1.0
  K  K2  2  0.0000  0.5732  0.0000  1.0
  K  K3  2  0.0000  0.8016  0.5000  1.0
  Mg  Mg4  2  0.0000  0.9985  0.0000  1.0
  V  V5  2  0.0000  0.3734  0.0000  1.0
  V  V6  2  0.0000  0.6231  0.5000  1.0
  Cu  Cu7  2  0.0000  0.1212  0.5000  1.0
  Cu  Cu8  2  0.0000  0.8714  0.0000  1.0
  S  S9  4  0.1375  0.3214  0.8001  1.0
  S  S10  4  0.1500  0.6767  0.3119  1.0
  S  S11  4  0.1740  0.0667  0.2925  1.0
  S  S12  4  0.1782  0.9337  0.8131  1.0
]