data_GaReAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   142.09
_cell_angle_beta   142.09
_cell_angle_gamma   54.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReAs
_chemical_formula_sum   'Ga1 Re1 As1'
_cell_volume   47.27
_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  Ga1  1  0.0  0.0  0.93  1.0
  Re  Re2  1  0.0  0.0  0.84  1.0
  As  As0  1  0.0  0.0  0.14  1.0

data_GaReAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   117.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaReAs
_chemical_formula_sum   'Ga2 Re2 As2'
_cell_volume   94.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.07  1.0
  Re  Re1  2  0.0  0.0  0.16  1.0
  As  As2  2  0.0  0.0  0.86  1.0

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