[CIF]
data_Mg2ScAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46851413
_cell_length_b   4.70238356
_cell_length_c   5.51266537
_cell_angle_alpha   90.00000000
_cell_angle_beta   107.36685109
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ScAs
_chemical_formula_sum   'Mg2 Sc1 As1'
_cell_volume   85.81428298
_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
  As  As0  1  0.91152302  0.00000000  2.63068025  1
  Mg  Mg1  1  0.06391741  2.35119178  3.86149746  1
  Mg  Mg2  1  1.75912863  2.35119178  1.39986304  1
  Sc  Sc3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
