data_BeSiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   5.78
_cell_angle_alpha   107.58
_cell_angle_beta   107.58
_cell_angle_gamma   58.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiP2
_chemical_formula_sum   'Be1 Si1 P2'
_cell_volume   54.67
_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
  Si  Si3  1  0.99  0.0  0.71  1.0
  P  P1  1  0.95  0.0  0.31  1.0
  P  P2  1  0.03  0.0  0.12  1.0

data_BeSiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.43
_cell_length_c   5.76
_cell_angle_alpha   72.98
_cell_angle_beta   73.0
_cell_angle_gamma   60.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiP2
_chemical_formula_sum   'Be1 Si1 P2'
_cell_volume   54.67
_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
  Si  Si1  1  0.0  0.28  0.71  1.0
  P  P2  1  0.0  0.64  0.31  1.0
  P  P3  1  0.0  0.91  0.12  1.0

Be Si P P