data_BeNbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   142.02
_cell_angle_beta   142.02
_cell_angle_gamma   54.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbP
_chemical_formula_sum   'Be1 Nb1 P1'
_cell_volume   39.15
_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  0.21  1.0
  Nb  Nb1  1  0.0  0.0  0.74  1.0
  P  P2  1  0.0  0.0  0.4  1.0

data_BeNbP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   117.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNbP
_chemical_formula_sum   'Be2 Nb2 P2'
_cell_volume   78.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.21  0.0  0.21  1.0
  Nb  Nb1  2  0.24  0.5  0.74  1.0
  P  P2  2  0.4  0.0  0.4  1.0

Be Nb P
Be Nb P 0 2 o o o 1 2 o o o 