data_BeAlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   5.88
_cell_angle_alpha   107.52
_cell_angle_beta   107.52
_cell_angle_gamma   58.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlP2
_chemical_formula_sum   'Be1 Al1 P2'
_cell_volume   56.72
_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  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.76  1.0
  P  P2  1  0.07  0.0  0.27  1.0
  P  P3  1  0.94  0.0  0.25  1.0

data_BeAlP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.47
_cell_length_c   5.86
_cell_angle_alpha   73.18
_cell_angle_beta   73.12
_cell_angle_gamma   60.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlP2
_chemical_formula_sum   'Be1 Al1 P2'
_cell_volume   56.72
_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
  Al  Al1  1  0.0  0.24  0.76  1.0
  P  P2  1  0.0  0.69  0.25  1.0
  P  P3  1  0.0  0.8  0.27  1.0

Be Al P P
Be Al P P 0 3 - o o 0 1 o o - 0 2 o o o 2 3 - o o 