data_FeP2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   149.19
_cell_angle_beta   99.82
_cell_angle_gamma   88.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Br
_chemical_formula_sum   'Fe1 P2 Br1'
_cell_volume   111.65
_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
  Fe  Fe1  1  0.0  0.0  0.92  1.0
  P  P2  1  0.62  0.0  0.06  1.0
  P  P3  1  0.0  0.0  0.42  1.0
  Br  Br0  1  0.62  0.0  0.73  1.0

data_FeP2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   80.18
_cell_angle_beta   74.6
_cell_angle_gamma   74.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Br
_chemical_formula_sum   'Fe1 P2 Br1'
_cell_volume   111.65
_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
  Fe  Fe0  1  0.0  0.0  0.92  1.0
  P  P1  1  0.0  -0.0  0.42  1.0
  P  P2  1  0.0  0.38  0.06  1.0
  Br  Br3  1  0.0  0.38  0.73  1.0

Fe P P Br