data_[La4Ga4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9534]
_cell_length_b [5.9507]
_cell_length_c [8.5133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaGaP]
_chemical_formula_sum '[La4 Ga4 P4]'
_cell_volume [301.0294]
_cell_formula_units_Z [4]
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
[
  La  La0  4  0.2342  0.5000  0.8190  1.0
  Ga  Ga1  4  0.2256  0.0000  0.5494  1.0
  P  P2  4  0.2337  0.0000  0.8322  1.0
]