data_MnNbCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbCo2
_chemical_formula_sum   'Mn1 Nb1 Co2'
_cell_volume   49.08
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.0  0.0  0.62  1.0
  Co  Co0  1  0.82  0.0  0.64  1.0
  Co  Co1  1  0.82  0.0  0.59  1.0

data_MnNbCo2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnNbCo2
_chemical_formula_sum   'Mn1 Nb1 Co2'
_cell_volume   49.09
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.62  1.0
  Co  Co2  1  0.82  0.0  0.59  1.0
  Co  Co3  1  0.82  0.0  0.64  1.0

Mn Nb Co Co