data_LaScAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   33.3
_cell_angle_beta   33.3
_cell_angle_gamma   33.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScAs2
_chemical_formula_sum   'La1 Sc1 As2'
_cell_volume   99.26
_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  La2  1  0.0  0.0  0.16  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.28  1.0
  As  As1  1  0.0  0.0  0.05  1.0

data_LaScAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.12
_cell_length_b   4.11
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   109.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaScAs2
_chemical_formula_sum   'La2 Sc2 As4'
_cell_volume   198.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.84  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  As  As2  2  0.0  0.0  0.72  1.0
  As  As3  2  0.0  0.0  0.95  1.0

La Sc As As
La Sc As As 0 3 o o o 0 2 o o o 1 3 o o o 