data_CaMg2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   4.11
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   118.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2P
_chemical_formula_sum   'Ca1 Mg2 P1'
_cell_volume   106.92
_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  0.35  0.0  0.44  1.0
  Mg  Mg1  1  0.01  0.06  0.87  1.0
  Mg  Mg2  1  0.68  0.06  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_CaMg2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   5.34
_cell_length_c   5.54
_cell_angle_alpha   118.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2P
_chemical_formula_sum   'Ca1 Mg2 P1'
_cell_volume   106.92
_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  0.65  0.56  1.0
  Mg  Mg1  1  0.94  0.32  1.0  1.0
  Mg  Mg2  1  0.94  0.99  0.13  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ca Mg Mg P
CaMg2P is Hg_xSn structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaMg2P cluster. Ca(1) is bonded in a distorted single-bond geometry to one P(1) atom. The Ca(1)-P(1) bond length is 2.24 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one P(1) atom. The Mg(1)-P(1) bond length is 0.81 Å. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one P(1) atom. The Mg(2)-P(1) bond length is 1.71 Å. P(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mg(1), and one Mg(2) atom.