data_MgInAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.54
_cell_length_c   3.31
_cell_angle_alpha   76.26
_cell_angle_beta   74.53
_cell_angle_gamma   29.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInAs
_chemical_formula_sum   'Mg1 In1 As1'
_cell_volume   67.26
_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  0.27  0.41  0.32  1.0
  In  In1  1  0.27  0.41  0.16  1.0
  As  As0  1  0.27  0.41  0.07  1.0

data_MgInAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   12.28
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   133.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgInAs
_chemical_formula_sum   'Mg2 In2 As2'
_cell_volume   134.52
_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  0.5  0.5  0.41  1.0
  In  In1  2  0.15  0.0  0.57  1.0
  As  As2  2  0.25  0.0  0.66  1.0

Mg In As
Mg In As 0 1 o o o 1 2 o o o 