data_CrTeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   147.42
_cell_angle_beta   131.53
_cell_angle_gamma   59.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTeOs2
_chemical_formula_sum   'Cr1 Te1 Os2'
_cell_volume   62.56
_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
  Te  Te3  1  0.0  0.0  0.68  1.0
  Os  Os1  1  0.51  0.0  0.54  1.0
  Os  Os2  1  0.0  0.21  0.14  1.0

data_CrTeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.42
_cell_length_c   5.39
_cell_angle_alpha   114.24
_cell_angle_beta   106.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTeOs2
_chemical_formula_sum   'Cr1 Te1 Os2'
_cell_volume   62.56
_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
  Te  Te1  1  0.0  0.68  0.68  1.0
  Os  Os2  1  0.0  0.54  0.03  1.0
  Os  Os3  1  0.79  0.93  0.93  1.0

Cr Te Os Os