data_CaMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   130.3
_cell_angle_beta   130.3
_cell_angle_gamma   72.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2
_chemical_formula_sum   'Ca2 Mn4'
_cell_volume   117.99
_cell_formula_units_Z   2
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  0.14  1.0
  Ca  Ca1  1  0.0  0.0  0.38  1.0
  Mn  Mn2  1  0.86  0.63  0.0  1.0
  Mn  Mn3  1  0.63  0.86  0.76  1.0
  Mn  Mn4  1  0.35  0.86  0.0  1.0
  Mn  Mn5  1  0.14  0.63  0.76  1.0

data_CaMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   5.92
_cell_angle_alpha   114.85
_cell_angle_beta   114.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2
_chemical_formula_sum   'Ca2 Mn4'
_cell_volume   117.99
_cell_formula_units_Z   2
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  0.62  0.0  0.62  1.0
  Ca  Ca1  1  0.86  0.0  0.86  1.0
  Mn  Mn2  1  0.1  0.86  0.73  1.0
  Mn  Mn3  1  0.63  0.63  0.49  1.0
  Mn  Mn4  1  0.86  0.86  0.21  1.0
  Mn  Mn5  1  0.87  0.63  0.0  1.0

Ca Ca Mn Mn Mn Mn