data_BeFe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   4.34
_cell_angle_alpha   100.22
_cell_angle_beta   100.22
_cell_angle_gamma   39.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFe2P
_chemical_formula_sum   'Be1 Fe2 P1'
_cell_volume   40.37
_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
  Fe  Fe1  1  0.17  0.0  0.2  1.0
  Fe  Fe2  1  0.25  0.0  0.06  1.0
  P  P3  1  0.21  0.0  0.13  1.0

data_BeFe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   3.85
_cell_length_c   4.34
_cell_angle_alpha   100.22
_cell_angle_beta   90.0
_cell_angle_gamma   109.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFe2P
_chemical_formula_sum   'Be1 Fe2 P1'
_cell_volume   40.37
_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
  Fe  Fe1  1  0.0  0.75  0.94  1.0
  Fe  Fe2  1  0.0  0.83  0.8  1.0
  P  P3  1  0.0  0.79  0.87  1.0

Be Fe Fe P
Be Fe Fe P 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 2 3 o o o 
BeFe2P crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeFe2P cluster. Be(1) is bonded in a distorted single-bond geometry to one P(1) atom. The Be(1)-P(1) bond length is 0.91 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one P(1) atom. The Fe(1)-P(1) bond length is 0.37 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one P(1) atom. The Fe(2)-P(1) bond length is 0.37 Å. P(1) is bonded in a T-shaped geometry to one Be(1), one Fe(1), and one Fe(2) atom.