data_[Ho12Te2P6Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8852]
_cell_length_b [4.0365]
_cell_length_c [8.2278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6TeP3Se2]
_chemical_formula_sum '[Ho12 Te2 P6 Se4]'
_cell_volume [574.0451]
_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
[
  Ho  Ho0  4  0.0049  0.0000  0.7258  1.0
  Ho  Ho1  4  0.1619  0.5000  0.5949  1.0
  Ho  Ho2  4  0.1762  0.5000  0.0721  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1655  0.0000  0.8313  1.0
  P  P5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  4  0.1674  0.0000  0.3334  1.0
]