data_CrMoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.73
_cell_angle_alpha   99.79
_cell_angle_beta   99.79
_cell_angle_gamma   33.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMoOs2
_chemical_formula_sum   'Cr1 Mo1 Os2'
_cell_volume   56.92
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.06  0.0  0.33  1.0
  Os  Os2  1  0.47  0.0  0.09  1.0
  Os  Os3  1  0.65  0.0  0.57  1.0

data_CrMoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.68
_cell_length_c   4.73
_cell_angle_alpha   99.79
_cell_angle_beta   90.0
_cell_angle_gamma   106.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMoOs2
_chemical_formula_sum   'Cr1 Mo1 Os2'
_cell_volume   56.92
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.94  0.67  1.0
  Os  Os2  1  0.0  0.35  0.43  1.0
  Os  Os3  1  0.0  0.53  0.91  1.0

Cr Mo Os Os