data_Zr2MoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   2.97
_cell_angle_alpha   101.78
_cell_angle_beta   101.78
_cell_angle_gamma   113.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MoOs
_chemical_formula_sum   'Zr2 Mo1 Os1'
_cell_volume   72.23
_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  0.91  0.76  0.38  1.0
  Zr  Zr3  1  0.91  0.24  0.38  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.92  0.0  0.0  1.0

data_Zr2MoOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   113.76
_cell_angle_beta   101.78
_cell_angle_gamma   101.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MoOs
_chemical_formula_sum   'Zr2 Mo1 Os1'
_cell_volume   72.23
_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  Zr0  1  0.38  0.91  0.76  1.0
  Zr  Zr1  1  0.38  0.91  0.24  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.92  0.0  1.0

Zr Zr Mo Os