data_MgInP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   114.53
_cell_angle_beta   107.72
_cell_angle_gamma   106.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInP2
_chemical_formula_sum   'Mg1 In1 P2'
_cell_volume   82.38
_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  0.0  0.0  0.85  1.0
  P  P2  1  0.57  0.0  0.11  1.0
  P  P3  1  0.0  0.81  0.75  1.0

data_MgInP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   106.28
_cell_angle_beta   107.72
_cell_angle_gamma   114.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInP2
_chemical_formula_sum   'Mg1 In1 P2'
_cell_volume   82.38
_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  0.85  0.85  0.85  1.0
  P  P2  1  0.11  0.54  0.11  1.0
  P  P3  1  0.75  0.75  0.94  1.0

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