data_[Mn1Br1Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5204]
_cell_length_b [6.5494]
_cell_length_c [6.7219]
_cell_angle_alpha [113.1916]
_cell_angle_beta [96.8940]
_cell_angle_gamma [98.5224]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnBrCl4]
_chemical_formula_sum '[Mn1 Br1 Cl4]'
_cell_volume [216.6309]
_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
[
  Mn  Mn0  1  0.4471  0.5216  0.0592  1
  Br  Br1  1  0.2453  0.7604  0.3538  1
  Cl  Cl2  1  0.1014  0.3415  0.8339  1
  Cl  Cl3  1  0.5853  0.2306  0.0449  1
  Cl  Cl4  1  0.6255  0.6233  0.8393  1
  Cl  Cl5  1  0.7454  0.7726  0.3689  1
]