data_Mg2NbCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   145.93
_cell_angle_beta   127.4
_cell_angle_gamma   64.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbCo
_chemical_formula_sum   'Mg2 Nb1 Co1'
_cell_volume   69.12
_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  0.0  0.39  0.29  1.0
  Mg  Mg2  1  0.0  0.0  0.32  1.0
  Nb  Nb3  1  0.0  0.39  0.39  1.0
  Co  Co0  1  0.0  0.0  0.72  1.0

data_Mg2NbCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.78
_cell_length_c   5.4
_cell_angle_alpha   116.3
_cell_angle_beta   107.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbCo
_chemical_formula_sum   'Mg2 Nb1 Co1'
_cell_volume   69.12
_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  0.0  0.32  0.32  1.0
  Mg  Mg1  1  0.61  0.9  0.9  1.0
  Nb  Nb2  1  0.61  1.0  1.0  1.0
  Co  Co3  1  0.0  0.72  0.72  1.0

Mg Mg Nb Co