data_CaMnGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   144.36
_cell_angle_beta   130.44
_cell_angle_gamma   62.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnGa2
_chemical_formula_sum   'Ca1 Mn1 Ga2'
_cell_volume   72.87
_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  0.92  1.0
  Mn  Mn3  1  0.68  0.0  0.44  1.0
  Ga  Ga1  1  0.68  0.0  0.15  1.0
  Ga  Ga2  1  0.0  0.0  0.58  1.0

data_CaMnGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.61
_cell_length_c   5.5
_cell_angle_alpha   114.78
_cell_angle_beta   107.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnGa2
_chemical_formula_sum   'Ca1 Mn1 Ga2'
_cell_volume   72.87
_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  0.08  0.08  0.08  1.0
  Mn  Mn1  1  0.24  0.56  0.24  1.0
  Ga  Ga2  1  0.42  0.42  0.42  1.0
  Ga  Ga3  1  0.53  0.85  0.53  1.0

Ca Mn Ga Ga
Ca Mn Ga Ga 0 1 - o o 0 3 o o o 1 3 + o o 1 2 o o o 2 3 + o o 