data_BeCd2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   146.33
_cell_angle_beta   132.52
_cell_angle_gamma   59.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd2Os
_chemical_formula_sum   'Be1 Cd2 Os1'
_cell_volume   62.09
_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
  Cd  Cd1  1  0.0  0.15  0.61  1.0
  Cd  Cd2  1  0.55  0.0  0.04  1.0
  Os  Os3  1  0.0  0.0  0.65  1.0

data_BeCd2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.31
_cell_length_c   5.35
_cell_angle_alpha   113.74
_cell_angle_beta   106.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd2Os
_chemical_formula_sum   'Be1 Cd2 Os1'
_cell_volume   62.09
_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
  Cd  Cd1  1  0.0  0.04  0.49  1.0
  Cd  Cd2  1  0.85  0.46  0.46  1.0
  Os  Os3  1  0.0  0.65  0.65  1.0

Be Cd Cd Os