data_BeAs2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   3.96
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   108.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAs2Os
_chemical_formula_sum   'Be1 As2 Os1'
_cell_volume   76.57
_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  Be2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.86  0.98  0.28  1.0
  As  As1  1  0.09  0.98  0.1  1.0
  Os  Os3  1  0.21  0.0  0.0  1.0

data_BeAs2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.42
_cell_length_c   4.62
_cell_angle_alpha   108.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAs2Os
_chemical_formula_sum   'Be1 As2 Os1'
_cell_volume   76.57
_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
  As  As1  1  0.02  0.14  0.72  1.0
  As  As2  1  0.02  0.91  0.9  1.0
  Os  Os3  1  0.0  0.79  0.0  1.0

Be As As Os
Be As As Os 0 2 o - o 0 1 - - o 0 3 o o o 1 2 + o o 2 3 o + o 