data_[Ta6Mo6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [12.0255]
_cell_length_b [3.3051]
_cell_length_c [6.8554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TaMoP]
_chemical_formula_sum '[Ta6 Mo6 P6]'
_cell_volume [272.4733]
_cell_formula_units_Z [6]
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
[
  Ta  Ta0  4  0.0426  0.0000  0.7851  1
  Ta  Ta1  2  0.2500  0.0000  0.2036  1
  Mo  Mo2  4  0.1202  0.5000  0.4582  1
  Mo  Mo3  2  0.2500  0.5000  0.8428  1
  P  P4  4  0.0997  0.5000  0.0854  1
  P  P5  2  0.2500  0.0000  0.5867  1
]