data_GaReW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   2.75
_cell_angle_alpha   98.3
_cell_angle_beta   98.3
_cell_angle_gamma   117.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReW2
_chemical_formula_sum   'Ga1 Re1 W2'
_cell_volume   62.36
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.69  0.0  0.0  1.0
  W  W2  1  0.96  0.81  0.32  1.0
  W  W3  1  0.96  0.19  0.32  1.0

data_GaReW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   117.03
_cell_angle_beta   98.3
_cell_angle_gamma   98.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReW2
_chemical_formula_sum   'Ga1 Re1 W2'
_cell_volume   62.36
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.69  0.0  1.0
  W  W2  1  0.32  0.96  0.81  1.0
  W  W3  1  0.32  0.96  0.19  1.0

Ga Re W W
Ga Re W W 0 3 - o o 0 1 - o o 0 2 - - o 1 3 o o o 