data_Ba2BeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79
_cell_length_b   8.79
_cell_length_c   8.79
_cell_angle_alpha   154.74
_cell_angle_beta   151.48
_cell_angle_gamma   38.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BeP
_chemical_formula_sum   'Ba2 Be1 P1'
_cell_volume   138.31
_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
  Ba  Ba0  1  0.0  0.0  0.59  1.0
  Ba  Ba1  1  0.92  0.0  0.1  1.0
  Be  Be2  1  0.0  0.0  0.97  1.0
  P  P3  1  0.0  0.17  0.55  1.0

data_Ba2BeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.33
_cell_length_c   8.79
_cell_angle_alpha   104.26
_cell_angle_beta   102.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BeP
_chemical_formula_sum   'Ba2 Be1 P1'
_cell_volume   138.31
_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
  Ba  Ba0  1  0.0  0.1  0.18  1.0
  Ba  Ba1  1  0.0  0.59  0.59  1.0
  Be  Be2  1  0.0  0.97  0.97  1.0
  P  P3  1  0.83  0.38  0.38  1.0

Ba Ba Be P