data_GaBAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   6.65
_cell_angle_alpha   109.7
_cell_angle_beta   109.7
_cell_angle_gamma   48.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBAs2
_chemical_formula_sum   'Ga1 B1 As2'
_cell_volume   70.45
_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  Ga3  1  0.35  0.0  0.09  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.24  0.0  0.28  1.0
  As  As1  1  0.46  0.0  0.9  1.0

data_GaBAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.91
_cell_length_c   6.48
_cell_angle_alpha   75.04
_cell_angle_beta   75.74
_cell_angle_gamma   65.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBAs2
_chemical_formula_sum   'Ga1 B1 As2'
_cell_volume   70.45
_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  0.26  0.09  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.56  0.9  1.0
  As  As3  1  0.0  0.96  0.28  1.0

Ga B As As