data_Sr3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   6.39
_cell_angle_alpha   114.53
_cell_angle_beta   114.53
_cell_angle_gamma   33.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Sc
_chemical_formula_sum   'Sr3 Sc1'
_cell_volume   173.66
_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  Sr1  1  0.75  0.0  0.88  1.0
  Sr  Sr2  1  0.73  0.0  0.3  1.0
  Sr  Sr3  1  0.77  0.0  0.46  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0

data_Sr3Sc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   6.39
_cell_length_c   7.44
_cell_angle_alpha   114.53
_cell_angle_beta   106.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Sc
_chemical_formula_sum   'Sr3 Sc1'
_cell_volume   173.66
_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  0.3  0.73  1.0
  Sr  Sr1  1  0.0  0.46  0.77  1.0
  Sr  Sr2  1  0.0  0.88  0.75  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0

Sr Sr Sr Sc