data_MgNb2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   145.54
_cell_angle_beta   131.51
_cell_angle_gamma   60.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2Co
_chemical_formula_sum   'Mg1 Nb2 Co1'
_cell_volume   65.35
_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  0.0  0.0  1.0
  Nb  Nb2  1  0.0  0.21  0.12  1.0
  Nb  Nb3  1  0.59  0.0  0.51  1.0
  Co  Co0  1  0.0  0.0  0.64  1.0

data_MgNb2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.42
_cell_length_c   5.38
_cell_angle_alpha   114.25
_cell_angle_beta   107.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2Co
_chemical_formula_sum   'Mg1 Nb2 Co1'
_cell_volume   65.35
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.08  0.49  0.08  1.0
  Nb  Nb2  1  0.88  0.08  0.08  1.0
  Co  Co3  1  0.36  0.36  0.36  1.0

Mg Nb Nb Co