data_LaSc2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   134.2
_cell_angle_beta   134.2
_cell_angle_gamma   66.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Ge
_chemical_formula_sum   'La1 Sc2 Ge1'
_cell_volume   94.85
_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
  La  La1  1  0.0  0.23  0.39  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.23  0.0  0.39  1.0
  Ge  Ge0  1  0.0  0.0  0.78  1.0

data_LaSc2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.72
_cell_angle_alpha   112.9
_cell_angle_beta   112.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Ge
_chemical_formula_sum   'La1 Sc2 Ge1'
_cell_volume   94.85
_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
  La  La0  1  0.84  0.23  0.84  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.61  0.0  0.84  1.0
  Ge  Ge3  1  0.22  0.0  0.22  1.0

La Sc Sc Ge