data_[Na1Mn1Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5086]
_cell_length_b [3.7322]
_cell_length_c [6.8006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaMnCl4]
_chemical_formula_sum '[Na1 Mn1 Cl4]'
_cell_volume [164.7365]
_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
[
  Na  Na0  1  0.0000  0.5000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.2077  0.0000  0.2820  1.0
  Cl  Cl3  2  0.2102  0.5000  0.8708  1.0
]