data_[Tm12Te2As4P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
  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 [17.6311]
_cell_length_b [4.0327]
_cell_length_c [8.1261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6TeAs2P3]
_chemical_formula_sum '[Tm12 Te2 As4 P6]'
_cell_volume [561.7897]
_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  0.0012  0.0000  0.7265  1
  Tm  Tm1  4  0.1664  0.5000  0.5870  1
  Tm  Tm2  4  0.1757  0.5000  0.0840  1
  Te  Te3  2  0.0000  0.5000  0.0000  1
  As  As4  4  0.1664  0.0000  0.3325  1
  P  P5  4  0.1644  0.0000  0.8327  1
  P  P6  2  0.0000  0.5000  0.5000  1
]