data_CrTcOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   149.71
_cell_angle_beta   132.21
_cell_angle_gamma   57.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcOs2
_chemical_formula_sum   'Cr1 Tc1 Os2'
_cell_volume   56.62
_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
  Tc  Tc3  1  0.0  0.0  0.68  1.0
  Os  Os1  1  0.4  0.0  0.04  1.0
  Os  Os2  1  0.0  0.16  0.64  1.0

data_CrTcOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.33
_cell_length_c   5.34
_cell_angle_alpha   113.9
_cell_angle_beta   105.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcOs2
_chemical_formula_sum   'Cr1 Tc1 Os2'
_cell_volume   56.62
_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
  Tc  Tc1  1  0.0  0.68  0.68  1.0
  Os  Os2  1  0.0  0.04  0.64  1.0
  Os  Os3  1  0.84  0.48  0.48  1.0

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