data_Cr2MoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   3.76
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2MoOs
_chemical_formula_sum   'Cr2 Mo1 Os1'
_cell_volume   54.72
_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  0.01  1.0
  Cr  Cr1  1  0.35  0.88  0.27  1.0
  Mo  Mo2  1  0.0  0.0  0.64  1.0
  Os  Os3  1  0.35  0.88  0.13  1.0

data_Cr2MoOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.76
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2MoOs
_chemical_formula_sum   'Cr2 Mo1 Os1'
_cell_volume   54.72
_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  0.01  1.0
  Cr  Cr1  1  0.35  0.88  0.27  1.0
  Mo  Mo2  1  0.0  0.0  0.64  1.0
  Os  Os3  1  0.35  0.88  0.13  1.0

Cr Cr Mo Os
Cr Cr Mo Os 0 3 o - o 0 2 o o - 1 3 o o o 1 2 o + o 