data_[K6Mn3Be3Cl18]
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
  Be  1.5700  1.0500  0.5900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.1986]
_cell_length_b [7.1986]
_cell_length_c [22.8925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [K2MnBeCl6]
_chemical_formula_sum '[K6 Mn3 Be3 Cl18]'
_cell_volume [1027.3449]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2528  1.0
  Mn  Mn1  3  0.0000  0.0000  0.5000  1.0
  Be  Be2  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  9  0.0000  0.2688  0.0000  1.0
  Cl  Cl4  9  0.0000  0.6836  0.5000  1.0
]