data_[Sm1Co2As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1922]
_cell_length_b [4.3540]
_cell_length_c [19.2426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [92.4304]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SmCo2As3]
_chemical_formula_sum '[Sm1 Co2 As3]'
_cell_volume [350.9138]
_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
[
  Sm  Sm0  1  0.8925  0.1661  0.4106  1
  Co  Co1  1  0.1495  0.7992  0.5104  1
  Co  Co2  1  0.6334  0.5652  0.5099  1
  As  As3  1  0.3888  0.6653  0.3959  1
  As  As4  1  0.5956  0.0859  0.5569  1
  As  As5  1  0.9054  0.7203  0.6163  1
]