data_[Mn2P1Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.5760]
_cell_length_b [3.6189]
_cell_length_c [18.2446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mn2PBr3]
_chemical_formula_sum '[Mn2 P1 Br3]'
_cell_volume [434.1786]
_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  0.1685  0.0000  0.4973  1
  Mn  Mn1  1  0.7110  0.5000  0.4941  1
  P  P2  1  0.8654  0.0000  0.4290  1
  Br  Br3  1  0.0381  0.5000  0.5908  1
  Br  Br4  1  0.3369  0.5000  0.4130  1
  Br  Br5  1  0.5284  0.0000  0.5757  1
]