data_MnCrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrOs
_chemical_formula_sum   'Mn1 Cr1 Os1'
_cell_volume   37.59
_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
  Mn  Mn1  1  0.0  0.52  0.03  1.0
  Cr  Cr0  1  0.0  0.0  0.06  1.0
  Os  Os2  1  0.32  0.76  0.16  1.0

data_MnCrOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrOs
_chemical_formula_sum   'Mn1 Cr1 Os1'
_cell_volume   37.59
_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
  Mn  Mn0  1  -0.0  0.52  0.03  1.0
  Cr  Cr1  1  0.0  0.0  0.06  1.0
  Os  Os2  1  0.32  0.76  0.16  1.0

Mn Cr Os
Mn Cr Os 0 1 o + o 0 1 o o o 0 2 o o o 1 2 o - o 