data_CaMn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn3O4
_chemical_formula_sum   'Ca1 Mn3 O4'
_cell_volume   97.6
_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  0.64  0.64  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.76  1.0
  Mn  Mn2  1  0.64  0.64  0.55  1.0
  Mn  Mn3  1  0.0  0.0  0.35  1.0
  O  O4  1  0.64  0.64  0.36  1.0
  O  O5  1  0.0  0.0  0.0  1.0
  O  O6  1  0.64  0.64  0.74  1.0
  O  O7  1  0.0  0.0  0.55  1.0

data_CaMn3O4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMn3O4
_chemical_formula_sum   'Ca2 Mn6 O8'
_cell_volume   195.21
_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  0.14  0.5  0.0  1.0
  Mn  Mn1  2  0.0  0.0  0.35  1.0
  Mn  Mn2  2  0.0  0.0  0.76  1.0
  Mn  Mn3  2  0.14  0.5  0.55  1.0
  O  O4  2  0.0  0.0  0.0  1.0
  O  O5  2  0.0  0.0  0.55  1.0
  O  O6  2  0.14  0.5  0.36  1.0
  O  O7  2  0.14  0.5  0.74  1.0

Ca Mn Mn Mn O O O O
Ca Mn Mn Mn O O O O 0 5 + + o 1 6 - - o 1 7 o o o 2 4 o o o 2 7 + + o 2 6 o o o 3 4 - - o 3 7 o o o 