data_LaBe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   5.63
_cell_angle_alpha   110.52
_cell_angle_beta   110.52
_cell_angle_gamma   58.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2Os
_chemical_formula_sum   'La1 Be2 Os1'
_cell_volume   68.98
_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
  La  La2  1  0.31  0.0  0.53  1.0
  Be  Be0  1  1.0  0.0  0.01  1.0
  Be  Be1  1  0.05  0.0  0.8  1.0
  Os  Os3  1  0.62  0.0  0.4  1.0

data_LaBe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.96
_cell_length_c   5.63
_cell_angle_alpha   110.52
_cell_angle_beta   90.0
_cell_angle_gamma   119.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2Os
_chemical_formula_sum   'La1 Be2 Os1'
_cell_volume   68.98
_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
  La  La0  1  0.0  0.69  0.47  1.0
  Be  Be1  1  0.0  0.0  0.99  1.0
  Be  Be2  1  0.0  0.95  0.2  1.0
  Os  Os3  1  0.0  0.38  0.6  1.0

La Be Be Os