data_MgInSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.81
_cell_angle_alpha   100.14
_cell_angle_beta   100.14
_cell_angle_gamma   34.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInSi2
_chemical_formula_sum   'Mg1 In1 Si2'
_cell_volume   82.74
_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  0.0  1.0
  In  In0  1  0.27  0.0  0.86  1.0
  Si  Si2  1  0.57  0.0  0.69  1.0
  Si  Si3  1  0.97  0.0  0.02  1.0

data_MgInSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.04
_cell_length_c   5.81
_cell_angle_alpha   100.14
_cell_angle_beta   90.0
_cell_angle_gamma   107.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInSi2
_chemical_formula_sum   'Mg1 In1 Si2'
_cell_volume   82.74
_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  0.0  0.0  1.0
  In  In1  1  0.0  0.73  0.14  1.0
  Si  Si2  1  0.0  0.03  0.98  1.0
  Si  Si3  1  0.0  0.43  0.31  1.0

Mg In Si Si