data_CrTeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   144.03
_cell_angle_beta   132.28
_cell_angle_gamma   61.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTeW2
_chemical_formula_sum   'Cr1 Te1 W2'
_cell_volume   64.72
_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  0.0  0.58  1.0
  W  W2  1  0.64  0.0  0.26  1.0
  W  W3  1  0.0  0.15  0.32  1.0

data_CrTeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.3
_cell_length_c   5.32
_cell_angle_alpha   113.86
_cell_angle_beta   107.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTeW2
_chemical_formula_sum   'Cr1 Te1 W2'
_cell_volume   64.72
_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  0.42  0.42  0.42  1.0
  W  W2  1  0.39  0.74  0.39  1.0
  W  W3  1  0.68  0.83  0.83  1.0

Cr Te W W
Cr Te W W 0 3 o o o 1 2 - o o 