data_[Tm1Th2Zr1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0702]
_cell_length_b [4.1160]
_cell_length_c [7.1499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TmTh2ZrAs4]
_chemical_formula_sum '[Tm1 Th2 Zr1 As4]'
_cell_volume [196.0921]
_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
[
  Tm  Tm0  1  0.0000  0.5000  0.5000  1
  Th  Th1  1  0.5000  0.0000  0.5000  1
  Th  Th2  1  0.5000  0.5000  0.0000  1
  Zr  Zr3  1  0.0000  0.0000  0.0000  1
  As  As4  2  0.2303  0.5000  0.2399  1
  As  As5  2  0.2328  0.0000  0.7481  1
]