data_Ca2MnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MnGa
_chemical_formula_sum   'Ca2 Mn1 Ga1'
_cell_volume   94.44
_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  0.69  0.69  0.66  1.0
  Ca  Ca1  1  0.0  0.0  0.68  1.0
  Mn  Mn3  1  0.0  0.0  0.55  1.0
  Ga  Ga2  1  0.69  0.69  0.8  1.0

data_Ca2MnGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2MnGa
_chemical_formula_sum   'Ca4 Mn2 Ga2'
_cell_volume   188.87
_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  0.68  1.0
  Ca  Ca1  2  0.19  0.5  0.66  1.0
  Mn  Mn2  2  0.0  0.0  0.55  1.0
  Ga  Ga3  2  0.19  0.5  0.8  1.0

Ca Ca Mn Ga
CaMnCaGa crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaGa clusters and two CaMn clusters. In each CaGa cluster, Ca(1) is bonded in a single-bond geometry to one Ga(1) atom. The Ca(1)-Ga(1) bond length is 1.19 Å. Ga(1) is bonded in a single-bond geometry to one Ca(1) atom. In each CaMn cluster, Ca(2) is bonded in a single-bond geometry to one Mn(1) atom. The Ca(2)-Mn(1) bond length is 1.10 Å. Mn(1) is bonded in a single-bond geometry to one Ca(2) atom.