data_[Mn1Ru1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.8014]
_cell_length_b [3.3410]
_cell_length_c [7.7995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnRuBr2]
_chemical_formula_sum '[Mn1 Ru1 Br2]'
_cell_volume [97.7581]
_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  0.5020  0.0000  0.4358  1
  Ru  Ru1  1  0.9598  0.5000  0.3266  1
  Br  Br2  1  0.1976  0.5000  0.6473  1
  Br  Br3  1  0.8407  0.0000  0.0903  1
]