data_MnH4(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   9.27
_cell_angle_alpha   120.43
_cell_angle_beta   120.43
_cell_angle_gamma   54.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH4(CO3)2
_chemical_formula_sum   'Mn2 H8 C4 O12'
_cell_volume   239.39
_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
  Mn  Mn12  1  0.22  0.48  0.9  1.0
  Mn  Mn13  1  0.58  0.52  0.71  1.0
  H  H4  1  0.18  0.09  0.09  1.0
  H  H5  1  0.23  0.36  0.12  1.0
  H  H6  1  0.21  0.36  0.69  1.0
  H  H7  1  0.26  0.09  0.72  1.0
  H  H8  1  0.54  0.91  0.9  1.0
  H  H9  1  0.59  0.64  0.93  1.0
  H  H10  1  0.58  0.64  0.5  1.0
  H  H11  1  0.62  0.91  0.53  1.0
  C  C0  1  0.18  0.64  0.13  1.0
  C  C1  1  0.26  0.64  0.68  1.0
  C  C2  1  0.54  0.36  0.94  1.0
  C  C3  1  0.62  0.36  0.49  1.0
  O  O14  1  0.17  0.77  0.55  1.0
  O  O15  1  0.13  0.52  0.56  1.0
  O  O16  1  0.85  0.68  0.81  1.0
  O  O17  1  0.58  0.68  1.0  1.0
  O  O18  1  0.3  0.52  0.25  1.0
  O  O19  1  0.27  0.77  0.26  1.0
  O  O20  1  0.53  0.23  0.36  1.0
  O  O21  1  0.5  0.48  0.37  1.0
  O  O22  1  0.22  0.32  0.62  1.0
  O  O23  1  0.95  0.32  0.8  1.0
  O  O24  1  0.67  0.48  0.06  1.0
  O  O25  1  0.63  0.23  0.07  1.0

data_MnH4(CO3)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.67
_cell_length_b   6.22
_cell_length_c   8.13
_cell_angle_alpha   79.18
_cell_angle_beta   69.59
_cell_angle_gamma   62.87
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnH4(CO3)2
_chemical_formula_sum   'Mn2 H8 C4 O12'
_cell_volume   239.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Mn  Mn0  2  0.48  0.29  0.4  1.0
  H  H1  2  0.09  0.46  0.59  1.0
  H  H2  2  0.09  0.92  0.22  1.0
  H  H3  2  0.36  0.2  0.62  1.0
  H  H4  2  0.36  0.63  0.19  1.0
  C  C5  2  0.36  0.13  0.37  1.0
  C  C6  2  0.36  0.6  0.82  1.0
  O  O7  2  0.23  0.29  0.24  1.0
  O  O8  2  0.23  0.69  0.95  1.0
  O  O9  2  0.32  0.18  0.69  1.0
  O  O10  2  0.32  0.63  0.5  1.0
  O  O11  2  0.48  0.48  0.94  1.0
  O  O12  2  0.48  1.0  0.25  1.0

Mn Mn H H H H H H H H C C C C O O O O O O O O O O O O