data_BeP2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   4.01
_cell_angle_alpha   93.01
_cell_angle_beta   93.01
_cell_angle_gamma   35.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeP2Br
_chemical_formula_sum   'Be1 P2 Br1'
_cell_volume   74.15
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.17  0.0  0.41  1.0
  P  P3  1  0.45  0.0  0.59  1.0
  Br  Br1  1  0.31  0.0  0.0  1.0

data_BeP2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.01
_cell_length_c   5.68
_cell_angle_alpha   93.01
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeP2Br
_chemical_formula_sum   'Be1 P2 Br1'
_cell_volume   74.15
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.41  0.17  1.0
  P  P2  1  0.0  0.59  0.45  1.0
  Br  Br3  1  0.0  0.0  0.31  1.0

Be P P Br