data_BeGa2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   3.38
_cell_angle_alpha   106.85
_cell_angle_beta   106.85
_cell_angle_gamma   126.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2As
_chemical_formula_sum   'Be1 Ga2 As1'
_cell_volume   66.19
_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
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.17  0.53  0.29  1.0
  Ga  Ga3  1  0.17  0.47  0.29  1.0
  As  As0  1  0.54  0.0  0.0  1.0

data_BeGa2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.87
_cell_length_c   5.66
_cell_angle_alpha   109.51
_cell_angle_beta   106.85
_cell_angle_gamma   91.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2As
_chemical_formula_sum   'Be1 Ga2 As1'
_cell_volume   66.19
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.76  0.47  0.64  1.0
  Ga  Ga2  1  0.82  0.53  0.7  1.0
  As  As3  1  0.0  0.0  0.54  1.0

Be Ga Ga As