data_Cr2TcOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   144.7
_cell_angle_beta   127.56
_cell_angle_gamma   64.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TcOs
_chemical_formula_sum   'Cr2 Tc1 Os1'
_cell_volume   53.33
_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  0.17  0.15  1.0
  Cr  Cr1  1  0.49  0.0  0.99  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.14  1.0

data_Cr2TcOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.33
_cell_length_c   4.9
_cell_angle_alpha   116.22
_cell_angle_beta   107.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TcOs
_chemical_formula_sum   'Cr2 Tc1 Os1'
_cell_volume   53.33
_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  0.99  0.51  1.0
  Cr  Cr1  1  0.83  0.98  0.98  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.14  0.14  1.0

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