data_ReTe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   4.19
_cell_angle_alpha   109.33
_cell_angle_beta   109.33
_cell_angle_gamma   117.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTe2W
_chemical_formula_sum   'Re1 Te2 W1'
_cell_volume   82.98
_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
  Re  Re0  1  0.79  0.0  0.0  1.0
  Te  Te1  1  0.05  0.68  0.61  1.0
  Te  Te2  1  0.05  0.32  0.61  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_ReTe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.32
_cell_length_c   5.41
_cell_angle_alpha   110.13
_cell_angle_beta   109.33
_cell_angle_gamma   98.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTe2W
_chemical_formula_sum   'Re1 Te2 W1'
_cell_volume   82.98
_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
  Re  Re0  1  -0.0  0.0  0.79  1.0
  Te  Te1  1  0.29  0.68  0.73  1.0
  Te  Te2  1  0.92  0.32  0.37  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Re Te Te W
Re Te Te W 0 3 + o o 0 2 + o o 1 3 o + + 1 2 o o o 