data_[Tm2Zr1Sc1Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5055]
_cell_length_b [4.3303]
_cell_length_c [7.5276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm2ZrScBi4]
_chemical_formula_sum '[Tm2 Zr1 Sc1 Bi4]'
_cell_volume [230.9450]
_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
  Tm  Tm1  1  0.5000  0.0000  0.5000  1
  Zr  Zr2  1  0.0000  0.0000  0.0000  1
  Sc  Sc3  1  0.5000  0.5000  0.0000  1
  Bi  Bi4  2  0.2480  0.5000  0.2403  1
  Bi  Bi5  2  0.2544  0.0000  0.7606  1
]