data_Mg2GaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   3.18
_cell_angle_alpha   92.44
_cell_angle_beta   92.44
_cell_angle_gamma   102.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaP
_chemical_formula_sum   'Mg2 Ga1 P1'
_cell_volume   73.57
_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
  Mg  Mg1  1  0.42  0.09  0.58  1.0
  Mg  Mg2  1  0.42  0.91  0.58  1.0
  Ga  Ga0  1  0.05  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Mg2GaP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   102.71
_cell_angle_beta   92.44
_cell_angle_gamma   92.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaP
_chemical_formula_sum   'Mg2 Ga1 P1'
_cell_volume   73.57
_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
  Mg  Mg0  1  0.58  0.42  0.09  1.0
  Mg  Mg1  1  0.58  0.42  0.91  1.0
  Ga  Ga2  1  0.0  0.05  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Mg Mg Ga P