data_SrMgSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   6.16
_cell_angle_alpha   100.98
_cell_angle_beta   100.98
_cell_angle_gamma   34.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgSc2
_chemical_formula_sum   'Sr1 Mg1 Sc2'
_cell_volume   119.21
_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
  Sr  Sr3  1  0.01  0.0  0.95  1.0
  Mg  Mg0  1  0.1  0.0  0.37  1.0
  Sc  Sc1  1  0.81  0.0  0.94  1.0
  Sc  Sc2  1  0.0  0.0  0.83  1.0

data_SrMgSc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.92
_cell_length_c   6.16
_cell_angle_alpha   100.98
_cell_angle_beta   90.0
_cell_angle_gamma   107.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgSc2
_chemical_formula_sum   'Sr1 Mg1 Sc2'
_cell_volume   119.21
_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
  Sr  Sr0  1  0.0  0.99  0.05  1.0
  Mg  Mg1  1  0.0  0.9  0.63  1.0
  Sc  Sc2  1  0.0  0.19  0.06  1.0
  Sc  Sc3  1  0.0  1.0  0.17  1.0

Sr Mg Sc Sc