data_Mg3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   130.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3P
_chemical_formula_sum   'Mg6 P2'
_cell_volume   170.81
_cell_formula_units_Z   2
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  0.87  0.63  0.19  1.0
  Mg  Mg1  1  0.87  0.37  0.58  1.0
  Mg  Mg2  1  0.3  0.93  0.19  1.0
  Mg  Mg3  1  0.44  0.07  0.58  1.0
  Mg  Mg4  1  0.44  0.93  0.19  1.0
  Mg  Mg5  1  0.3  0.07  0.58  1.0
  P  P6  1  0.87  0.16  0.58  1.0
  P  P7  1  0.87  0.84  0.19  1.0

data_Mg3P
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.77
_cell_length_b   5.75
_cell_length_c   6.86
_cell_angle_alpha   114.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg3P
_chemical_formula_sum   'Mg6 P2'
_cell_volume   170.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.19  0.63  0.13  1.0
  Mg  Mg1  2  0.19  0.93  0.0  1.0
  Mg  Mg2  2  0.19  0.93  0.86  1.0
  P  P3  2  0.19  0.84  0.34  1.0

Mg Mg Mg Mg Mg Mg P P
Mg Mg Mg Mg Mg Mg P P 0 7 o o o 1 6 o o o 2 4 o o o 3 5 o o o 