data_BeNi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   6.44
_cell_angle_alpha   90.0
_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   43.29
_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  0.3  0.3  0.34  1.0
  Ni  Ni2  1  0.3  0.3  0.1  1.0
  Os  Os3  1  0.0  0.0  0.22  1.0

data_BeNi2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNi2Os
_chemical_formula_sum   'Be2 Ni4 Os2'
_cell_volume   86.58
_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  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.3  0.0  0.1  1.0
  Ni  Ni2  2  0.3  0.0  0.34  1.0
  Os  Os3  2  0.0  0.0  0.22  1.0

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