data_[Na6Sr3Mn3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0054]
_cell_length_b [7.0054]
_cell_length_c [18.7602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2SrMnCl6]
_chemical_formula_sum '[Na6 Sr3 Mn3 Cl18]'
_cell_volume [797.3188]
_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
[
  Na  Na0  3  0.0000  0.0000  0.0182  1.0
  Na  Na1  3  0.0000  0.0000  0.5227  1.0
  Sr  Sr2  3  0.0000  0.0000  0.8167  1.0
  Mn  Mn3  3  0.0000  0.0000  0.3214  1.0
  Cl  Cl4  9  0.0028  0.7151  0.4095  1.0
  Cl  Cl5  9  0.0387  0.3408  0.9181  1.0
]