data_[Ta1Mn1Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.3555]
_cell_length_b [4.5969]
_cell_length_c [5.8587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaMnPb2]
_chemical_formula_sum '[Ta1 Mn1 Pb2]'
_cell_volume [87.2747]
_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
[
  Ta  Ta0  1  0.1340  0.0000  0.5020  1
  Mn  Mn1  1  0.3787  0.5000  0.7452  1
  Pb  Pb2  1  0.5761  0.5000  0.3039  1
  Pb  Pb3  1  0.9112  0.0000  0.9489  1
]