data_[Cs1Mn1As1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.6489]
_cell_length_b [6.6489]
_cell_length_c [7.8231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [CsMnAsCl6]
_chemical_formula_sum '[Cs1 Mn1 As1 Cl6]'
_cell_volume [299.5107]
_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
[
  Cs  Cs0  1  0.6667  0.3333  0.0000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.5000  1.0
  As  As2  1  0.3333  0.6667  0.5000  1.0
  Cl  Cl3  6  0.0451  0.3353  0.6848  1.0
]