data_ScBe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   141.63
_cell_angle_beta   128.18
_cell_angle_gamma   66.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe2Os
_chemical_formula_sum   'Sc1 Be2 Os1'
_cell_volume   51.52
_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
  Sc  Sc3  1  0.0  0.0  0.03  1.0
  Be  Be0  1  0.56  0.0  0.26  1.0
  Be  Be1  1  0.0  0.0  0.82  1.0
  Os  Os2  1  0.56  0.0  0.82  1.0

data_ScBe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.15
_cell_length_c   4.75
_cell_angle_alpha   115.91
_cell_angle_beta   109.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe2Os
_chemical_formula_sum   'Sc1 Be2 Os1'
_cell_volume   51.52
_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
  Sc  Sc0  1  0.0  0.03  0.03  1.0
  Be  Be1  1  0.0  0.26  0.7  1.0
  Be  Be2  1  0.0  0.82  0.82  1.0
  Os  Os3  1  0.0  0.82  0.25  1.0

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