data_BeNb2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   136.98
_cell_angle_beta   136.98
_cell_angle_gamma   62.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2P
_chemical_formula_sum   'Be1 Nb2 P1'
_cell_volume   57.53
_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
  Nb  Nb1  1  0.83  0.0  0.14  1.0
  Nb  Nb2  1  0.0  0.0  0.28  1.0
  P  P3  1  0.0  0.83  0.14  1.0

data_BeNb2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   5.0
_cell_angle_alpha   111.51
_cell_angle_beta   111.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2P
_chemical_formula_sum   'Be1 Nb2 P1'
_cell_volume   57.53
_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
  Nb  Nb1  1  0.72  0.0  0.72  1.0
  Nb  Nb2  1  0.86  0.0  0.7  1.0
  P  P3  1  0.7  0.83  0.7  1.0

Be Nb Nb P