data_SrMgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgP2
_chemical_formula_sum   'Sr1 Mg1 P2'
_cell_volume   83.83
_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
  Sr  Sr3  1  0.0  0.0  0.15  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.55  0.0  0.17  1.0
  P  P2  1  0.55  0.0  0.12  1.0

data_SrMgP2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrMgP2
_chemical_formula_sum   'Sr1 Mg1 P2'
_cell_volume   83.85
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.0  0.0  0.15  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.55  0.0  0.12  1.0
  P  P3  1  0.55  0.0  0.17  1.0

Sr Mg P P
Sr Mg P P 0 1 o o o 2 3 o o o 