data_YMgSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   146.1
_cell_angle_beta   131.91
_cell_angle_gamma   60.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgSc
_chemical_formula_sum   'Y1 Mg1 Sc1'
_cell_volume   80.4
_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
  Y  Y2  1  0.0  0.0  0.35  1.0
  Mg  Mg0  1  0.0  0.0  0.02  1.0
  Sc  Sc1  1  0.0  0.0  0.67  1.0

data_YMgSc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.73
_cell_length_c   5.8
_cell_angle_alpha   114.04
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgSc
_chemical_formula_sum   'Y1 Mg1 Sc1'
_cell_volume   80.4
_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
  Y  Y0  1  0.0  0.35  0.35  1.0
  Mg  Mg1  1  0.0  0.02  0.02  1.0
  Sc  Sc2  1  0.0  0.67  0.67  1.0

Y Mg Sc