data_MgInP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   5.43
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInP2
_chemical_formula_sum   'Mg1 In1 P2'
_cell_volume   80.05
_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  0.25  0.0  0.35  1.0
  In  In0  1  0.45  0.72  0.56  1.0
  P  P2  1  0.33  0.72  0.5  1.0
  P  P3  1  0.37  0.0  0.38  1.0

data_MgInP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.91
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInP2
_chemical_formula_sum   'Mg1 In1 P2'
_cell_volume   80.05
_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  0.75  0.65  0.0  1.0
  In  In1  1  0.55  0.44  0.28  1.0
  P  P2  1  0.63  0.62  0.0  1.0
  P  P3  1  0.67  0.5  0.28  1.0

Mg In P P
Mg In P P 0 3 o o o 1 2 o o o 