data_MgSc2Co
_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   141.98
_cell_angle_beta   124.17
_cell_angle_gamma   69.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2Co
_chemical_formula_sum   'Mg1 Sc2 Co1'
_cell_volume   76.67
_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
  Sc  Sc2  1  0.0  0.5  0.75  1.0
  Sc  Sc3  1  0.74  0.0  0.64  1.0
  Co  Co0  1  0.0  0.0  0.39  1.0

data_MgSc2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.01
_cell_length_c   5.35
_cell_angle_alpha   117.92
_cell_angle_beta   109.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2Co
_chemical_formula_sum   'Mg1 Sc2 Co1'
_cell_volume   76.67
_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
  Sc  Sc1  1  0.1  0.36  0.1  1.0
  Sc  Sc2  1  0.25  0.75  0.75  1.0
  Co  Co3  1  0.61  0.61  0.61  1.0

Mg Sc Sc Co