data_BeGaAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   4.76
_cell_length_c   4.01
_cell_angle_alpha   90.0
_cell_angle_beta   105.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaAs2
_chemical_formula_sum   'Be1 Ga1 As2'
_cell_volume   70.71
_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  Be2  1  0.47  0.0  0.87  1.0
  Ga  Ga3  1  0.54  0.38  0.02  1.0
  As  As0  1  0.36  0.0  0.38  1.0
  As  As1  1  0.65  0.38  0.54  1.0

data_BeGaAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.01
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaAs2
_chemical_formula_sum   'Be1 Ga1 As2'
_cell_volume   70.71
_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  0.53  0.13  0.0  1.0
  Ga  Ga1  1  0.46  0.98  0.62  1.0
  As  As2  1  0.35  0.46  0.62  1.0
  As  As3  1  0.64  0.62  0.0  1.0

Be Ga As As