data_ZrTe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   130.46
_cell_angle_beta   130.46
_cell_angle_gamma   72.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTe2Mo
_chemical_formula_sum   'Zr1 Te2 Mo1'
_cell_volume   85.8
_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  Zr3  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.3  1.0
  Te  Te2  1  0.0  0.23  0.15  1.0
  Mo  Mo0  1  0.23  0.0  0.15  1.0

data_ZrTe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   5.33
_cell_angle_alpha   114.77
_cell_angle_beta   114.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTe2Mo
_chemical_formula_sum   'Zr1 Te2 Mo1'
_cell_volume   85.8
_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  0.0  0.0  0.0  1.0
  Te  Te1  1  0.09  0.23  0.09  1.0
  Te  Te2  1  0.7  0.0  0.7  1.0
  Mo  Mo3  1  0.85  0.0  0.09  1.0

Zr Te Te Mo