data_[K4Ca2Mg2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1905]
_cell_length_b [7.3809]
_cell_length_c [12.5259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2CaMgCl6]
_chemical_formula_sum '[K4 Ca2 Mg2 Cl12]'
_cell_volume [545.7428]
_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  4  0.2332  0.0549  0.2491  1.0
  Ca  Ca1  2  0.5000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1542  0.2175  0.9586  1.0
  Cl  Cl4  4  0.2441  0.6980  0.9602  1.0
  Cl  Cl5  4  0.3180  0.0168  0.7395  1.0
]