data_MgInAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   4.04
_cell_angle_alpha   102.73
_cell_angle_beta   102.73
_cell_angle_gamma   35.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInAs2
_chemical_formula_sum   'Mg1 In1 As2'
_cell_volume   91.04
_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  Mg3  1  0.67  0.0  0.63  1.0
  In  In2  1  0.73  0.0  0.36  1.0
  As  As0  1  0.65  0.0  0.26  1.0
  As  As1  1  0.52  0.0  0.65  1.0

data_MgInAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.04
_cell_length_c   6.3
_cell_angle_alpha   102.73
_cell_angle_beta   107.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInAs2
_chemical_formula_sum   'Mg1 In1 As2'
_cell_volume   91.04
_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  0.63  0.67  1.0
  In  In1  1  0.0  0.36  0.73  1.0
  As  As2  1  0.0  0.26  0.65  1.0
  As  As3  1  0.0  0.65  0.52  1.0

Mg In As As