data_NaMnCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   151.12
_cell_angle_beta   128.33
_cell_angle_gamma   60.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnCo2
_chemical_formula_sum   'Na1 Mn1 Co2'
_cell_volume   57.58
_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
  Na  Na3  1  0.0  0.0  0.01  1.0
  Mn  Mn2  1  0.33  0.0  0.36  1.0
  Co  Co0  1  0.33  0.0  0.28  1.0
  Co  Co1  1  0.0  0.0  0.23  1.0

data_NaMnCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.66
_cell_length_c   5.35
_cell_angle_alpha   115.83
_cell_angle_beta   104.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnCo2
_chemical_formula_sum   'Na1 Mn1 Co2'
_cell_volume   57.58
_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
  Na  Na0  1  0.0  0.01  0.01  1.0
  Mn  Mn1  1  0.0  0.36  0.02  1.0
  Co  Co2  1  0.0  0.23  0.23  1.0
  Co  Co3  1  0.0  0.28  0.94  1.0

Na Mn Co Co
Na Mn Co Co 0 3 o o o 1 2 o o o 