data_[Zr1Mn1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7335]
_cell_length_b [3.9334]
_cell_length_c [6.7371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ZrMnTe4]
_chemical_formula_sum '[Zr1 Mn1 Te4]'
_cell_volume [178.4065]
_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
[
  Zr  Zr0  1  0.0000  0.5000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Te  Te2  2  0.2432  0.5000  0.1523  1.0
  Te  Te3  2  0.2629  0.0000  0.6854  1.0
]