data_MgSc2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   4.82
_cell_angle_alpha   114.27
_cell_angle_beta   114.27
_cell_angle_gamma   32.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2Co
_chemical_formula_sum   'Mg1 Sc2 Co1'
_cell_volume   77.15
_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  0.84  0.0  0.02  1.0
  Sc  Sc2  1  0.06  0.0  0.31  1.0
  Sc  Sc3  1  0.3  0.0  0.28  1.0
  Co  Co0  1  0.42  0.0  0.28  1.0

data_MgSc2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.82
_cell_length_c   5.78
_cell_angle_alpha   114.27
_cell_angle_beta   106.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2Co
_chemical_formula_sum   'Mg1 Sc2 Co1'
_cell_volume   77.15
_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  0.02  0.84  1.0
  Sc  Sc1  1  0.0  0.28  0.3  1.0
  Sc  Sc2  1  0.0  0.31  0.06  1.0
  Co  Co3  1  0.0  0.28  0.42  1.0

Mg Sc Sc Co