data_[Tm2Ni4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6137]
_cell_length_b [5.8406]
_cell_length_c [5.5801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm(NiAs)2]
_chemical_formula_sum '[Tm2 Ni4 As4]'
_cell_volume [158.9847]
_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  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni1  4  0.0000  0.2273  0.5000  1.0
  As  As2  4  0.1099  0.5000  0.2595  1.0
]