data_[Tm8As6P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.9880]
_cell_length_b [8.0774]
_cell_length_c [6.9856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Tm4As3P]
_chemical_formula_sum '[Tm8 As6 P2]'
_cell_volume [371.6610]
_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
[
  Tm  Tm0  4  0.2445  0.1218  0.0008  1
  Tm  Tm1  4  0.2481  0.3718  0.4967  1
  As  As2  2  0.0000  0.3745  0.7500  1
  As  As3  2  0.5000  0.1248  0.7500  1
  As  As4  2  0.5000  0.3746  0.2500  1
  P  P5  2  0.0000  0.1244  0.2500  1
]