data_BeNi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   2.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNi2Os
_chemical_formula_sum   'Be1 Ni2 Os1'
_cell_volume   45.51
_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
  Ni  Ni1  1  0.22  0.83  0.27  1.0
  Ni  Ni2  1  0.22  0.17  0.27  1.0
  Os  Os3  1  0.44  0.0  0.0  1.0

data_BeNi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   112.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNi2Os
_chemical_formula_sum   'Be1 Ni2 Os1'
_cell_volume   45.51
_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
  Ni  Ni1  1  0.27  0.22  0.17  1.0
  Ni  Ni2  1  0.27  0.22  0.83  1.0
  Os  Os3  1  -0.0  0.44  0.0  1.0

Be Ni Ni Os
Be Ni Ni Os 0 2 o o o 1 3 o + o 