data_[Ho2Tm1Th1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1494]
_cell_length_b [4.1411]
_cell_length_c [7.1563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ho2TmThAs4]
_chemical_formula_sum '[Ho2 Tm1 Th1 As4]'
_cell_volume [199.7396]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Ho  Ho1  1  0.5000  0.5000  0.0000  1
  Tm  Tm2  1  0.5000  0.0000  0.5000  1
  Th  Th3  1  0.0000  0.5000  0.5000  1
  As  As4  2  0.2543  0.5000  0.2489  1
  As  As5  2  0.2572  0.0000  0.7556  1
]