data_Be2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.28
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   104.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AsP
_chemical_formula_sum   'Be2 As1 P1'
_cell_volume   54.62
_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  Be1  1  0.72  0.64  0.21  1.0
  Be  Be2  1  0.57  0.64  0.49  1.0
  As  As0  1  0.15  0.0  0.35  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Be2AsP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.54
_cell_length_c   4.86
_cell_angle_alpha   104.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AsP
_chemical_formula_sum   'Be2 As1 P1'
_cell_volume   54.62
_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  0.36  0.28  0.79  1.0
  Be  Be1  1  0.36  0.43  0.51  1.0
  As  As2  1  0.0  0.85  0.65  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Be Be As P
Be Be As P 0 1 o o o 0 2 + + o 0 3 + + o 1 2 o + o 2 3 o o o 