data_Be2GaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31
_cell_length_b   9.31
_cell_length_c   9.31
_cell_angle_alpha   16.25
_cell_angle_beta   16.25
_cell_angle_gamma   16.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2GaP
_chemical_formula_sum   'Be2 Ga1 P1'
_cell_volume   55.11
_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  0.15  1.0
  Be  Be1  1  0.0  0.0  0.3  1.0
  Ga  Ga2  1  0.0  0.0  0.27  1.0
  P  P3  1  0.0  0.0  0.61  1.0

data_Be2GaP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   2.63
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   99.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2GaP
_chemical_formula_sum   'Be4 Ga2 P2'
_cell_volume   110.23
_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
  Be  Be0  2  0.0  0.0  0.7  1.0
  Be  Be1  2  0.0  0.0  0.85  1.0
  Ga  Ga2  2  0.0  0.0  0.73  1.0
  P  P3  2  0.0  0.0  0.39  1.0

Be Be Ga P
Be Be Ga P 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 