data_GaReAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReAs2
_chemical_formula_sum   'Ga1 Re1 As2'
_cell_volume   72.57
_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  Ga2  1  0.0  0.0  0.52  1.0
  Re  Re3  1  0.56  0.0  0.4  1.0
  As  As0  1  0.0  0.0  0.45  1.0
  As  As1  1  0.56  0.0  0.79  1.0

data_GaReAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReAs2
_chemical_formula_sum   'Ga1 Re1 As2'
_cell_volume   72.57
_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  0.52  1.0
  Re  Re1  1  0.56  0.0  0.4  1.0
  As  As2  1  0.0  0.0  0.45  1.0
  As  As3  1  0.56  0.0  0.79  1.0

Ga Re As As
Ga Re As As 0 2 o o o 0 1 - o o 0 3 o o o 0 3 - o o 1 2 o o o 1 2 + o o 2 3 - o o 3 3 + + o 3 3 o + o 3 3 + o o 