data_Cr2Co2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   145.56
_cell_angle_beta   145.56
_cell_angle_gamma   49.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Co2Os
_chemical_formula_sum   'Cr2 Co2 Os1'
_cell_volume   61.63
_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  Cr2  1  0.0  0.0  0.31  1.0
  Cr  Cr3  1  0.0  0.0  0.2  1.0
  Co  Co0  1  0.0  0.71  0.63  1.0
  Co  Co1  1  0.71  0.0  0.63  1.0
  Os  Os4  1  0.0  0.0  0.0  1.0

data_Cr2Co2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   114.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2Co2Os
_chemical_formula_sum   'Cr4 Co4 Os2'
_cell_volume   123.26
_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
  Cr  Cr0  2  0.0  0.0  0.69  1.0
  Cr  Cr1  2  0.0  0.0  0.8  1.0
  Co  Co2  4  0.36  0.36  0.09  1.0
  Os  Os3  2  0.0  0.0  0.0  1.0

Cr Cr Co Co Os
Cr Cr Co Co Os 0 1 o o o 1 4 o o o 2 4 o + + 2 3 - + o 3 4 + o + 