data_CaMgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgW2
_chemical_formula_sum   'Ca1 Mg1 W2'
_cell_volume   75.25
_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
  Ca  Ca0  1  0.0  0.0  0.95  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.38  0.38  0.3  1.0
  W  W3  1  0.38  0.38  0.6  1.0

data_CaMgW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMgW2
_chemical_formula_sum   'Ca2 Mg2 W4'
_cell_volume   150.5
_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
  Ca  Ca0  2  0.0  0.0  0.95  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.38  0.0  0.3  1.0
  W  W3  2  0.38  0.0  0.6  1.0

Ca Mg W W
Ca Mg W W 0 1 o o + 2 2 + o o 2 2 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
CaMgW2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a single-bond geometry to one Mg(1) and three equivalent W(2) atoms. The Ca(1)-Mg(1) bond length is 0.48 Å. There is one shorter (3.77 Å) and two longer (4.01 Å) Ca(1)-W(2) bond lengths. Mg(1) is bonded in a single-bond geometry to one Ca(1) and three equivalent W(1) atoms. There is one shorter (3.33 Å) and two longer (3.60 Å) Mg(1)-W(1) bond lengths. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 8-coordinate geometry to three equivalent Mg(1), one W(2), and four equivalent W(1) atoms. The W(1)-W(2) bond length is 2.97 Å. All W(1)-W(1) bond lengths are 2.76 Å. In the second W site, W(2) is bonded in a 8-coordinate geometry to three equivalent Ca(1), one W(1), and four equivalent W(2) atoms. All W(2)-W(2) bond lengths are 2.76 Å.