data_[La2Mn1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2151]
_cell_length_b [9.0903]
_cell_length_c [18.8698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [La2MnTe4]
_chemical_formula_sum '[La2 Mn1 Te4]'
_cell_volume [723.0180]
_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  2  0.0000  0.2554  0.5525  1
  Mn  Mn1  1  0.5000  0.0000  0.4218  1
  Te  Te2  2  0.0000  0.1997  0.3945  1
  Te  Te3  1  0.5000  0.0000  0.5846  1
  Te  Te4  1  0.5000  0.5000  0.5996  1
]