data_ZnCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   149.65
_cell_angle_beta   128.35
_cell_angle_gamma   61.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2Os
_chemical_formula_sum   'Zn1 Cu2 Os1'
_cell_volume   52.47
_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
  Zn  Zn3  1  0.0  0.0  0.69  1.0
  Cu  Cu0  1  0.34  0.0  0.02  1.0
  Cu  Cu1  1  0.0  0.0  0.11  1.0
  Os  Os2  1  0.34  0.0  0.39  1.0

data_ZnCu2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.45
_cell_length_c   5.11
_cell_angle_alpha   115.83
_cell_angle_beta   105.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2Os
_chemical_formula_sum   'Zn1 Cu2 Os1'
_cell_volume   52.47
_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
  Zn  Zn0  1  0.0  0.69  0.69  1.0
  Cu  Cu1  1  0.0  0.02  0.68  1.0
  Cu  Cu2  1  0.0  0.11  0.11  1.0
  Os  Os3  1  0.0  0.39  0.05  1.0

Zn Cu Cu Os
Zn Cu Cu Os 0 1 o o + 2 3 o o o 