data_ZrInOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   149.44
_cell_angle_beta   149.44
_cell_angle_gamma   43.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInOs
_chemical_formula_sum   'Zr1 In1 Os1'
_cell_volume   58.74
_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
  Zr  Zr2  1  0.0  0.0  0.81  1.0
  In  In0  1  0.0  0.0  0.14  1.0
  Os  Os1  1  0.0  0.0  0.72  1.0

data_ZrInOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   111.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrInOs
_chemical_formula_sum   'Zr2 In2 Os2'
_cell_volume   117.47
_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
  Zr  Zr0  2  0.31  0.5  0.81  1.0
  In  In1  2  0.14  0.0  0.14  1.0
  Os  Os2  2  0.22  0.5  0.72  1.0

Zr In Os