data_Mg2InAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.94
_cell_angle_alpha   104.73
_cell_angle_beta   104.73
_cell_angle_gamma   40.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InAs
_chemical_formula_sum   'Mg2 In1 As1'
_cell_volume   88.92
_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  Mg2  1  0.35  0.0  0.37  1.0
  Mg  Mg3  1  0.16  0.0  0.35  1.0
  In  In1  1  0.76  0.0  0.86  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Mg2InAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.87
_cell_length_c   5.94
_cell_angle_alpha   104.73
_cell_angle_beta   90.0
_cell_angle_gamma   110.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InAs
_chemical_formula_sum   'Mg2 In1 As1'
_cell_volume   88.92
_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  0.0  0.65  0.63  1.0
  Mg  Mg1  1  0.0  0.84  0.65  1.0
  In  In2  1  0.0  0.24  0.14  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Mg Mg In As