data_[Zr4Te2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0593]
_cell_length_b [3.5470]
_cell_length_c [4.8077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zr2TeP]
_chemical_formula_sum '[Zr4 Te2 P2]'
_cell_volume [169.5745]
_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
[
  Zr  Zr0  2  0.0125  0.0000  0.0698  1
  Zr  Zr1  2  0.2291  0.0000  0.6551  1
  Te  Te2  2  0.2409  0.5000  0.1694  1
  P  P3  2  0.0175  0.5000  0.6058  1
]