data_MgP4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgP4W
_chemical_formula_sum   'Mg1 P4 W1'
_cell_volume   89.5
_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  0.42  0.42  0.68  1.0
  P  P2  1  0.42  0.68  0.42  1.0
  P  P3  1  0.68  0.42  0.42  1.0
  P  P4  1  0.68  0.68  0.68  1.0
  W  W5  1  0.33  0.33  0.33  1.0

data_MgP4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   12.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgP4W
_chemical_formula_sum   'Mg3 P12 W3'
_cell_volume   268.49
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  P  P1  9  0.09  0.17  0.49  1.0
  P  P2  3  0.0  0.0  0.32  1.0
  W  W3  3  0.0  0.0  0.67  1.0

Mg P P P P W
MgWP4 crystallizes in the trigonal R3m space group. Mg(1) is bonded in a distorted q6 geometry to three equivalent W(1), three equivalent P(1), and three equivalent P(2) atoms. All Mg(1)-W(1) bond lengths are 2.90 Å. All Mg(1)-P(1) bond lengths are 3.03 Å. All Mg(1)-P(2) bond lengths are 2.90 Å. W(1) is bonded to three equivalent Mg(1), three equivalent P(2), and six equivalent P(1) atoms to form a mixture of distorted corner and edge-sharing WMg3P9 cuboctahedra. All W(1)-P(2) bond lengths are 2.91 Å. There are three shorter (2.36 Å) and three longer (2.85 Å) W(1)-P(1) bond lengths. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one Mg(1), two equivalent W(1), one P(2), and two equivalent P(1) atoms. The P(1)-P(2) bond length is 2.24 Å. Both P(1)-P(1) bond lengths are 1.29 Å. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Mg(1), three equivalent W(1), and three equivalent P(1) atoms.