data_CaMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   119.53
_cell_angle_beta   119.53
_cell_angle_gamma   90.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMoP2
_chemical_formula_sum   'Ca1 Mo1 P2'
_cell_volume   65.93
_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  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.18  1.0
  P  P2  1  0.0  0.28  0.59  1.0
  P  P3  1  0.28  0.0  0.59  1.0

data_CaMoP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.35
_cell_length_b   6.44
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   134.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMoP2
_chemical_formula_sum   'Ca2 Mo2 P4'
_cell_volume   131.86
_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  0.0  1.0
  Mo  Mo1  2  0.32  0.5  0.82  1.0
  P  P2  4  0.05  0.36  0.41  1.0

Ca Mo P P
CaMoP2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a single-bond geometry to one Mo(1) and four equivalent P(1) atoms. The Ca(1)-Mo(1) bond length is 0.80 Å. There are two shorter (2.72 Å) and two longer (2.85 Å) Ca(1)-P(1) bond lengths. Mo(1) is bonded in a single-bond geometry to one Ca(1) and two equivalent P(1) atoms. Both Mo(1)-P(1) bond lengths are 1.66 Å. P(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mo(1), and one P(1) atom. The P(1)-P(1) bond length is 1.79 Å.