data_Mg2InP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   7.89
_cell_angle_alpha   28.26
_cell_angle_beta   28.26
_cell_angle_gamma   28.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InP
_chemical_formula_sum   'Mg2 In1 P1'
_cell_volume   97.36
_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  0.7  1.0
  Mg  Mg2  1  0.0  0.0  0.55  1.0
  In  In0  1  0.0  0.0  0.24  1.0
  P  P3  1  0.0  0.0  0.3  1.0

data_Mg2InP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.67
_cell_length_b   3.85
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2InP
_chemical_formula_sum   'Mg4 In2 P2'
_cell_volume   194.72
_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  0.0  0.0  0.3  1.0
  Mg  Mg1  2  0.0  0.0  0.45  1.0
  In  In2  2  0.0  0.0  0.76  1.0
  P  P3  2  0.0  0.0  0.7  1.0

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