data_[La2Ta1Mn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2605]
_cell_length_b [3.2658]
_cell_length_c [9.0876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La2TaMn]
_chemical_formula_sum '[La2 Ta1 Mn1]'
_cell_volume [96.7645]
_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
[
  La  La0  1  0.5457  0.5000  0.6782  1
  La  La1  1  0.9719  0.0000  0.0527  1
  Ta  Ta2  1  0.4824  0.5000  0.3201  1
  Mn  Mn3  1  1.0000  0.0000  0.4489  1
]