data_[Sm2Th2V2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6033]
_cell_length_b [3.6316]
_cell_length_c [9.9536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmThV]
_chemical_formula_sum '[Sm2 Th2 V2]'
_cell_volume [162.9694]
_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
[
  Sm  Sm0  2  0.2061  0.7500  0.8984  1
  Th  Th1  2  0.4053  0.7500  0.3372  1
  V  V2  2  0.0659  0.7500  0.5826  1
]