data_CaMnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnP2
_chemical_formula_sum   'Ca1 Mn1 P2'
_cell_volume   59.88
_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
  Mn  Mn1  1  0.0  0.0  0.42  1.0
  P  P2  1  0.48  0.48  0.73  1.0
  P  P3  1  0.48  0.48  0.11  1.0

data_CaMnP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMnP2
_chemical_formula_sum   'Ca2 Mn2 P4'
_cell_volume   119.77
_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
  Mn  Mn1  2  0.0  0.0  0.42  1.0
  P  P2  2  0.48  0.0  0.11  1.0
  P  P3  2  0.48  0.0  0.73  1.0

Ca Mn P P
CaMnP2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 4-coordinate geometry to one Mn(1), four equivalent P(1), and four equivalent P(2) atoms. The Ca(1)-Mn(1) bond length is 2.85 Å. There are a spread of Ca(1)-P(1) bond distances ranging from 2.74-2.87 Å. There are a spread of Ca(1)-P(2) bond distances ranging from 2.14-2.30 Å. Mn(1) is bonded in a 13-coordinate geometry to one Ca(1), four equivalent Mn(1), four equivalent P(1), and four equivalent P(2) atoms. All Mn(1)-Mn(1) bond lengths are 2.96 Å. There are a spread of Mn(1)-P(1) bond distances ranging from 2.92-3.04 Å. There are a spread of Mn(1)-P(2) bond distances ranging from 2.92-3.04 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), four equivalent Mn(1), and one P(2) atom. The P(1)-P(2) bond length is 2.60 Å. In the second P site, P(2) is bonded in a 4-coordinate geometry to four equivalent Ca(1), four equivalent Mn(1), and one P(1) atom.