data_BeCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   137.7
_cell_angle_beta   137.7
_cell_angle_gamma   61.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCu2Os
_chemical_formula_sum   'Be1 Cu2 Os1'
_cell_volume   46.8
_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
  Cu  Cu1  1  0.7  0.0  0.03  1.0
  Cu  Cu2  1  0.0  0.7  0.03  1.0
  Os  Os3  1  0.0  0.0  0.05  1.0

data_BeCu2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   120.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCu2Os
_chemical_formula_sum   'Be2 Cu4 Os2'
_cell_volume   93.59
_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
  Cu  Cu1  4  0.32  0.35  0.67  1.0
  Os  Os2  2  0.45  0.5  0.95  1.0

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