data_MgInP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   150.59
_cell_angle_beta   144.58
_cell_angle_gamma   46.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInP2
_chemical_formula_sum   'Mg1 In1 P2'
_cell_volume   83.48
_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  0.11  1.0
  In  In0  1  0.0  0.02  0.52  1.0
  P  P2  1  0.0  0.02  0.15  1.0
  P  P3  1  0.0  0.0  0.55  1.0

data_MgInP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.05
_cell_length_c   6.65
_cell_angle_alpha   107.71
_cell_angle_beta   104.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInP2
_chemical_formula_sum   'Mg1 In1 P2'
_cell_volume   83.48
_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  0.11  0.11  1.0
  In  In1  1  0.98  0.49  0.49  1.0
  P  P2  1  0.0  0.55  0.55  1.0
  P  P3  1  0.98  0.13  0.13  1.0

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