data_MgAs2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   141.78
_cell_angle_beta   141.78
_cell_angle_gamma   55.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAs2P
_chemical_formula_sum   'Mg1 As2 P1'
_cell_volume   75.47
_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  Mg2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.91  0.59  1.0
  As  As1  1  0.91  0.0  0.59  1.0
  P  P3  1  0.0  0.0  0.17  1.0

data_MgAs2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   117.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgAs2P
_chemical_formula_sum   'Mg2 As4 P2'
_cell_volume   150.95
_cell_formula_units_Z   2
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  0.0  1.0
  As  As1  4  0.46  0.46  0.32  1.0
  P  P2  2  0.0  0.0  0.83  1.0

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