data_MgSiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   139.09
_cell_angle_beta   113.53
_cell_angle_gamma   81.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiP2
_chemical_formula_sum   'Mg1 Si1 P2'
_cell_volume   67.38
_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
  Si  Si3  1  0.0  0.0  0.7  1.0
  P  P1  1  0.0  0.67  0.6  1.0
  P  P2  1  0.7  0.0  0.11  1.0

data_MgSiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   66.47
_cell_angle_beta   69.55
_cell_angle_gamma   69.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiP2
_chemical_formula_sum   'Mg1 Si1 P2'
_cell_volume   67.38
_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
  Si  Si1  1  0.7  0.0  0.3  1.0
  P  P2  1  0.41  0.7  0.89  1.0
  P  P3  1  0.6  0.0  0.08  1.0

Mg Si P P