data_[In1Mo4P1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.0130]
_cell_length_b [3.0130]
_cell_length_c [13.5383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [InMo4PN2]
_chemical_formula_sum '[In1 Mo4 P1 N2]'
_cell_volume [106.4407]
_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
[
  In  In0  1  0.0000  0.0000  0.5000  1
  Mo  Mo1  2  0.0000  0.0000  0.1305  1
  Mo  Mo2  2  0.3333  0.6667  0.3225  1
  P  P3  1  0.3333  0.6667  0.0000  1
  N  N4  2  0.6667  0.3333  0.2315  1
]