data_[Fe2Te4P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.4710]
_cell_length_b [3.4795]
_cell_length_c [7.5649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeTe2P]
_chemical_formula_sum '[Fe2 Te4 P2]'
_cell_volume [187.7896]
_cell_formula_units_Z [2]
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
[
  Fe  Fe0  2  0.4553  0.0000  0.6251  1
  Te  Te1  2  0.0252  0.0000  0.8995  1
  Te  Te2  2  0.3623  0.5000  0.3503  1
  P  P3  2  0.1573  0.0000  0.6252  1
]