data_MgScAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   3.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScAs
_chemical_formula_sum   'Mg1 Sc1 As1'
_cell_volume   60.59
_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  0.0  0.0  0.78  1.0
  Sc  Sc2  1  0.0  0.5  0.54  1.0
  As  As0  1  0.17  0.25  0.4  1.0

data_MgScAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.33
_cell_length_c   4.33
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScAs
_chemical_formula_sum   'Mg1 Sc1 As1'
_cell_volume   60.59
_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  Mg0  1  0.78  0.0  0.0  1.0
  Sc  Sc1  1  0.54  0.0  0.5  1.0
  As  As2  1  0.4  0.17  0.25  1.0

Mg Sc As
Mg Sc As 0 2 o o o 1 2 o o o 