data_MgScAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.15
_cell_length_c   3.41
_cell_angle_alpha   77.98
_cell_angle_beta   70.5
_cell_angle_gamma   31.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScAs
_chemical_formula_sum   'Mg1 Sc1 As1'
_cell_volume   65.28
_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
  Mg  Mg1  1  0.09  0.7  0.07  1.0
  Sc  Sc2  1  0.09  0.7  0.42  1.0
  As  As0  1  0.09  0.7  0.09  1.0

data_MgScAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.18
_cell_length_b   11.57
_cell_length_c   3.41
_cell_angle_alpha   90.0
_cell_angle_beta   127.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgScAs
_chemical_formula_sum   'Mg2 Sc2 As2'
_cell_volume   130.57
_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
  Mg  Mg0  2  0.07  0.0  0.16  1.0
  Sc  Sc1  2  0.42  0.0  0.51  1.0
  As  As2  2  0.09  0.0  0.18  1.0

Mg Sc As