data_[Ga1Mo1P1H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5446]
_cell_length_b [3.5446]
_cell_length_c [5.0473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [GaMoPH2]
_chemical_formula_sum '[Ga1 Mo1 P1 H2]'
_cell_volume [63.4156]
_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
[
  Ga  Ga0  1  0.5000  0.5000  0.5000  1
  Mo  Mo1  1  0.0000  0.0000  0.5000  1
  P  P2  1  0.0000  0.0000  0.0000  1
  H  H3  2  0.0000  0.5000  0.0000  1
]