data_Be2FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   4.11
_cell_angle_alpha   132.86
_cell_angle_beta   132.86
_cell_angle_gamma   68.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FeP
_chemical_formula_sum   'Be2 Fe1 P1'
_cell_volume   36.69
_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  0.64  0.7  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.64  0.0  0.7  1.0
  P  P3  1  0.0  0.0  0.39  1.0

data_Be2FeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   4.11
_cell_angle_alpha   113.57
_cell_angle_beta   113.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FeP
_chemical_formula_sum   'Be2 Fe1 P1'
_cell_volume   36.69
_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
  Be  Be1  1  0.95  0.64  0.95  1.0
  Fe  Fe2  1  0.3  0.0  0.95  1.0
  P  P3  1  0.61  0.0  0.61  1.0

Be Be Fe P
Be Be Fe P 0 1 o + + 0 3 o o o 1 2 - o - 1 3 o o o 2 3 o o o 