data_MgP2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   131.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgP2Cl
_chemical_formula_sum   'Mg1 P2 Cl1'
_cell_volume   92.9
_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  0.0  0.0  0.0  1.0
  P  P2  1  0.11  0.46  0.13  1.0
  P  P3  1  0.11  0.54  0.13  1.0
  Cl  Cl0  1  0.22  0.0  0.0  1.0

data_MgP2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.44
_cell_length_c   5.39
_cell_angle_alpha   114.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgP2Cl
_chemical_formula_sum   'Mg1 P2 Cl1'
_cell_volume   92.9
_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  0.0  0.0  0.0  1.0
  P  P1  1  0.13  0.46  0.57  1.0
  P  P2  1  0.13  0.54  0.65  1.0
  Cl  Cl3  1  0.0  0.0  0.22  1.0

Mg P P Cl
Mg P P Cl 0 3 o o o 1 2 o o o 