data_Ba2ZrTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.07
_cell_angle_alpha   108.54
_cell_angle_beta   108.54
_cell_angle_gamma   33.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZrTe
_chemical_formula_sum   'Ba2 Zr1 Te1'
_cell_volume   148.81
_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
  Ba  Ba0  1  0.15  0.0  0.29  1.0
  Ba  Ba1  1  0.51  0.0  0.88  1.0
  Zr  Zr3  1  0.07  0.0  0.46  1.0
  Te  Te2  1  0.06  0.0  0.96  1.0

data_Ba2ZrTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   6.07
_cell_length_c   6.89
_cell_angle_alpha   108.54
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZrTe
_chemical_formula_sum   'Ba2 Zr1 Te1'
_cell_volume   148.81
_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
  Ba  Ba0  1  0.0  0.29  0.15  1.0
  Ba  Ba1  1  0.0  0.88  0.51  1.0
  Zr  Zr2  1  0.0  0.46  0.07  1.0
  Te  Te3  1  0.0  0.96  0.06  1.0

Ba Ba Zr Te