data_[Tm12As10P2]
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 [C2/m]
_cell_length_a [7.0098]
_cell_length_b [12.1348]
_cell_length_c [7.0046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6As5P]
_chemical_formula_sum '[Tm12 As10 P2]'
_cell_volume [561.7456]
_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  8  0.2467  0.1643  0.2473  1
  Tm  Tm1  4  0.2460  0.0000  0.7521  1
  As  As2  4  0.0000  0.1678  0.5000  1
  As  As3  4  0.0000  0.3334  0.0000  1
  As  As4  2  0.0000  0.5000  0.5000  1
  P  P5  2  0.0000  0.0000  0.0000  1
]