data_Mg2NbCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   2.75
_cell_angle_alpha   98.77
_cell_angle_beta   98.77
_cell_angle_gamma   121.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbCo
_chemical_formula_sum   'Mg2 Nb1 Co1'
_cell_volume   67.14
_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
  Mg  Mg1  1  0.91  0.39  0.31  1.0
  Mg  Mg2  1  0.91  0.61  0.31  1.0
  Nb  Nb3  1  0.68  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Mg2NbCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.21
_cell_length_c   5.48
_cell_angle_alpha   115.05
_cell_angle_beta   98.77
_cell_angle_gamma   101.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbCo
_chemical_formula_sum   'Mg2 Nb1 Co1'
_cell_volume   67.14
_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
  Mg  Mg0  1  0.7  0.39  0.3  1.0
  Mg  Mg1  1  0.92  0.61  0.52  1.0
  Nb  Nb2  1  0.0  0.0  0.68  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Mg Mg Nb Co