data_MgAsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAsP
_chemical_formula_sum   'Mg2 As2 P2'
_cell_volume   115.66
_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  Mg2  1  0.87  0.0  0.39  1.0
  Mg  Mg3  1  0.0  0.87  0.91  1.0
  As  As0  1  0.87  0.0  0.72  1.0
  As  As1  1  0.0  0.87  0.57  1.0
  P  P4  1  0.0  0.0  0.0  1.0
  P  P5  1  0.87  0.87  0.0  1.0

data_MgAsP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgAsP
_chemical_formula_sum   'Mg4 As4 P4'
_cell_volume   231.32
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.91  1.0
  Mg  Mg1  2  0.37  0.5  0.39  1.0
  As  As2  2  0.0  0.0  0.57  1.0
  As  As3  2  0.37  0.5  0.72  1.0
  P  P4  4  0.43  0.43  0.0  1.0

Mg Mg As As P P
Mg Mg As As P P 0 3 + - o 1 5 - o + 1 4 o + + 1 2 - + o 2 3 + - o 4 5 - - o 