data_Be2POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   2.8
_cell_angle_alpha   101.55
_cell_angle_beta   101.55
_cell_angle_gamma   116.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2POs
_chemical_formula_sum   'Be2 P1 Os1'
_cell_volume   45.85
_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  0.64  0.11  0.3  1.0
  Be  Be1  1  0.64  0.89  0.3  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.34  0.0  0.0  1.0

data_Be2POs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   116.36
_cell_angle_beta   101.55
_cell_angle_gamma   101.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2POs
_chemical_formula_sum   'Be2 P1 Os1'
_cell_volume   45.85
_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  0.3  0.64  0.11  1.0
  Be  Be1  1  0.3  0.64  0.89  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.34  0.0  1.0

Be Be P Os