data_MgSi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   4.83
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi2P
_chemical_formula_sum   'Mg1 Si2 P1'
_cell_volume   63.48
_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  Si2  1  0.31  0.42  0.27  1.0
  Si  Si3  1  0.31  0.42  0.74  1.0
  P  P1  1  0.31  0.0  0.5  1.0

data_MgSi2P
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.62
_cell_length_b   5.01
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MgSi2P
_chemical_formula_sum   'Mg1 Si2 P1'
_cell_volume   63.48
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Si  Si1  2  0.31  0.27  0.42  1.0
  P  P2  1  0.31  0.5  0.0  1.0

Mg Si Si P
Mg Si Si P 0 3 - o - 0 3 - o o 0 3 o o - 0 3 o o o 0 2 - o - 0 2 o o - 0 1 - o o 0 1 o o o 0 0 + o o 1 1 + o o 1 3 o o o 1 2 o o - 1 2 o o o 2 2 + o o 2 3 o o o 3 3 + o o 