data_[K1Mn1Cu2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0358]
_cell_length_b [6.8501]
_cell_length_c [8.4176]
_cell_angle_alpha [70.1090]
_cell_angle_beta [82.3519]
_cell_angle_gamma [85.0630]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMn(CuCl4)2]
_chemical_formula_sum '[K1 Mn1 Cu2 Cl8]'
_cell_volume [324.0443]
_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  0.5000  0.5000  1
  Mn  Mn1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  2  0.4999  0.9857  0.6879  1
  Cl  Cl3  2  0.1274  0.9813  0.2562  1
  Cl  Cl4  2  0.1697  0.3006  0.8652  1
  Cl  Cl5  2  0.3183  0.8103  0.9395  1
  Cl  Cl6  2  0.4959  0.2617  0.4496  1
]